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

Systemtic Name: 4-[(3-acetamidophenyl)amino]-3,5-dinitro-benzoate Openeye Name: 4-(3-acetamidoanilino)-3,5-dinitro-benzoate CAS Name: 4-(3-acetamidoanilino)-3,5-dinitrobenzoate IUPAC Name: 4-(3-acetamidoanilino)-3,5-dinitrobenzoate Traditional Name: 4-(3-acetamidoanilino)-3,5-dinitro-benzoate Formula: C15H11N4O7- MolecularWeight: 359.27044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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