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

Systemtic Name: 4-[[(4-methyl-3-nitro-phenyl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(4-methyl-3-nitro-benzoyl)amino]methyl]benzoic acid CAS Name: 4-[[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-methyl-3-nitrobenzoyl)amino]methyl]benzoic acid Traditional Name: 4-[[(4-methyl-3-nitro-benzoyl)amino]methyl]benzoic acid Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5/c1-10-2-5-13(8-14(10)18(22)23)15(19)17-9-11-3-6-12(7-4-11)16(20)21/h2-8H,9H2,1H3,(H,17,19)(H,20,21)