N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[2-(dimethylamino)-2-oxo-ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-(dimethylamino)-2-oxoethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[2-(dimethylamino)-2-oxoethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(dimethylamino)-2-keto-ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C13H14N6O4 MolecularWeight: 318.28806

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CNC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)CNC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N6O4/c1-17(2)12(20)6-15-13(21)9-3-4-10(11(5-9)19(22)23)18-8-14-7-16-18/h3-5,7-8H,6H2,1-2H3,(H,15,21)