Methyl 4-[(ethoxycarbonylmethyl)amino]-3-nitrobenzoate - CAS 1381944-43-9
Catalog: |
BB059722 |
Product Name: |
Methyl 4-[(ethoxycarbonylmethyl)amino]-3-nitrobenzoate |
CAS: |
1381944-43-9 |
Synonyms: |
Methyl 4-[(ethoxycarbonylmethyl)amino]-3-nitrobenzoate; Methyl 4-((2-ethoxy-2-oxoethyl)amino)-3-nitrobenzoate; methyl 4-[(2-ethoxy-2-oxoethyl)amino]-3-nitrobenzoate; Methyl 4-((2-ethoxy-2-oxoethyl)-amino)-3-nitrobenzoate; Methyl4-((2-ethoxy-2-oxoethyl)amino)-3-nitrobenzoate |
IUPAC Name: | methyl 4-[(2-ethoxy-2-oxoethyl)amino]-3-nitrobenzoate |
Description: | Methyl 4-[(ethoxycarbonylmethyl)amino]-3-nitrobenzoate |
Molecular Weight: | 282.25 |
Molecular Formula: | C12H14N2O6 |
Canonical SMILES: | CCOC(=O)CNC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-] |
InChI: | InChI=1S/C12H14N2O6/c1-3-20-11(15)7-13-9-5-4-8(12(16)19-2)6-10(9)14(17)18/h4-6,13H,3,7H2,1-2H3 |
InChI Key: | LHVJHRILVDYQAX-UHFFFAOYSA-N |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.08518617 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.08518617 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 110Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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