4-[(4-methylphenyl)amino]-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide

Systemtic Name: 4-[(4-methylphenyl)amino]-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide Openeye Name: 4-(4-methylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide CAS Name: 4-(4-methylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide IUPAC Name: 4-(4-methylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide Traditional Name: 3,5-dinitro-4-(p-toluidino)-N-(1,2,4-triazol-4-yl)benzamide Formula: C16H13N7O5 MolecularWeight: 383.31832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NN3C=NN=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NN3C=NN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N7O5/c1-10-2-4-12(5-3-10)19-15-13(22(25)26)6-11(7-14(15)23(27)28)16(24)20-21-8-17-18-9-21/h2-9,19H,1H3,(H,20,24)