4-[[(4-methoxy-3-nitro-phenyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(4-methoxy-3-nitro-phenyl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(4-methoxy-3-nitro-benzoyl)amino]methyl]benzoic acid CAS Name: 4-[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-methoxy-3-nitrobenzoyl)amino]methyl]benzoic acid Traditional Name: 4-[[(4-methoxy-3-nitro-benzoyl)amino]methyl]benzoic acid Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

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