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

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide Openeye Name: 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide CAS Name: 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide IUPAC Name: 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide Traditional Name: 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide Formula: C17H15N7O5 MolecularWeight: 397.3449

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C17H15N7O5/c1-10-3-4-13(11(2)5-10)20-16-14(23(26)27)6-12(7-15(16)24(28)29)17(25)21-22-8-18-19-9-22/h3-9,20H,1-2H3,(H,21,25)