2-[(3-acetamidophenyl)amino]-3,5-dinitro-benzoic acid

Systemtic Name: 2-[(3-acetamidophenyl)amino]-3,5-dinitro-benzoic acid Openeye Name: 2-(3-acetamidoanilino)-3,5-dinitro-benzoic acid CAS Name: 2-(3-acetamidoanilino)-3,5-dinitrobenzoic acid IUPAC Name: 2-(3-acetamidoanilino)-3,5-dinitrobenzoic acid Traditional Name: 2-(3-acetamidoanilino)-3,5-dinitro-benzoic acid Formula: C15H12N4O7 MolecularWeight: 360.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O7/c1-8(20)16-9-3-2-4-10(5-9)17-14-12(15(21)22)6-11(18(23)24)7-13(14)19(25)26/h2-7,17H,1H3,(H,16,20)(H,21,22)