3-[[methyl(phenylmethoxycarbonyl)amino]methyl]-4-nitro-benzoic acid

Systemtic Name: 3-[[methyl(phenylmethoxycarbonyl)amino]methyl]-4-nitro-benzoic acid Openeye Name: 3-[[benzyloxycarbonyl(methyl)amino]methyl]-4-nitro-benzoic acid CAS Name: 3-[[methyl(phenylmethoxycarbonyl)amino]methyl]-4-nitrobenzoic acid IUPAC Name: 3-[[methyl(phenylmethoxycarbonyl)amino]methyl]-4-nitrobenzoic acid Traditional Name: 3-[[carbobenzoxy(methyl)amino]methyl]-4-nitro-benzoic acid Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CN(CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H16N2O6/c1-18(17(22)25-11-12-5-3-2-4-6-12)10-14-9-13(16(20)21)7-8-15(14)19(23)24/h2-9H,10-11H2,1H3,(H,20,21)