2-[(4-ethanoylphenyl)carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[(4-ethanoylphenyl)carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[(4-acetylphenyl)carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[(4-acetylanilino)-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(4-acetylphenyl)carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(4-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=C(C=C1)NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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