2-azanyl-3-[(4-methoxycarbonylphenyl)methyl]-4-nitro-benzoic acid

Systemtic Name: 2-azanyl-3-[(4-methoxycarbonylphenyl)methyl]-4-nitro-benzoic acid Openeye Name: 2-amino-3-[(4-methoxycarbonylphenyl)methyl]-4-nitro-benzoic acid CAS Name: 2-amino-3-[(4-methoxycarbonylphenyl)methyl]-4-nitrobenzoic acid IUPAC Name: 2-amino-3-[(4-methoxycarbonylphenyl)methyl]-4-nitrobenzoic acid Traditional Name: 2-amino-3-(4-carbomethoxybenzyl)-4-nitro-benzoic acid Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC2=C(C=CC(=C2N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC2=C(C=CC(=C2N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O6/c1-24-16(21)10-4-2-9(3-5-10)8-12-13(18(22)23)7-6-11(14(12)17)15(19)20/h2-7H,8,17H2,1H3,(H,19,20)