2-[(3-ethanoylphenyl)carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[(3-ethanoylphenyl)carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[(3-acetylphenyl)carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[(3-acetylanilino)-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(3-acetylphenyl)carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(3-acetylphenyl)carbamoyl]-3-nitro-benzoic acid Formula: C16H12N2O6 MolecularWeight: 328.27628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O6/c1-9(19)10-4-2-5-11(8-10)17-15(20)14-12(16(21)22)6-3-7-13(14)18(23)24/h2-8H,1H3,(H,17,20)(H,21,22)