4-methyl-3-[2-(4-nitrophenyl)ethanoylamino]benzoic acid

Systemtic Name: 4-methyl-3-[2-(4-nitrophenyl)ethanoylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[2-(4-nitrophenyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-(4-nitrophenyl)acetyl]amino]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)O)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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