3-methyl-4-[(2-methyl-3-nitro-phenyl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(2-methyl-3-nitro-phenyl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(2-methyl-3-nitro-benzoyl)amino]benzoic acid CAS Name: 3-methyl-4-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(2-methyl-3-nitrobenzoyl)amino]benzoic acid Traditional Name: 3-methyl-4-[(2-methyl-3-nitro-benzoyl)amino]benzoic acid Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5/c1-9-8-11(16(20)21)6-7-13(9)17-15(19)12-4-3-5-14(10(12)2)18(22)23/h3-8H,1-2H3,(H,17,19)(H,20,21)