4-[(4-acetamidophenyl)amino]-3,5-dinitro-benzoic acid

Systemtic Name: 4-[(4-acetamidophenyl)amino]-3,5-dinitro-benzoic acid Openeye Name: 4-(4-acetamidoanilino)-3,5-dinitro-benzoic acid CAS Name: 4-(4-acetamidoanilino)-3,5-dinitrobenzoic acid IUPAC Name: 4-(4-acetamidoanilino)-3,5-dinitrobenzoic acid Traditional Name: 4-(4-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=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

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