3,5-dinitro-4-(propan-2-ylamino)-N-(1,2,4-triazol-4-yl)benzamide

Systemtic Name: 3,5-dinitro-4-(propan-2-ylamino)-N-(1,2,4-triazol-4-yl)benzamide Openeye Name: 4-(isopropylamino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide CAS Name: 3,5-dinitro-4-(propan-2-ylamino)-N-(1,2,4-triazol-4-yl)benzamide IUPAC Name: 3,5-dinitro-4-(propan-2-ylamino)-N-(1,2,4-triazol-4-yl)benzamide Traditional Name: 4-(isopropylamino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide Formula: C12H13N7O5 MolecularWeight: 335.27552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NN2C=NN=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NN2C=NN=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N7O5/c1-7(2)15-11-9(18(21)22)3-8(4-10(11)19(23)24)12(20)16-17-5-13-14-6-17/h3-7,15H,1-2H3,(H,16,20)