N-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-nitro-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-nitro-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-[(E)-(4-dimethylaminophenyl)methyleneamino]-3-nitro-1H-1,2,4-triazole-5-carboxamide CAS Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-nitro-1H-1,2,4-triazole-5-carboxamide IUPAC Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-nitro-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-[(E)-[4-(dimethylamino)benzylidene]amino]-3-nitro-1H-1,2,4-triazole-5-carboxamide Formula: C12H13N7O3 MolecularWeight: 303.27672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=NC(=NN2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=NC(=NN2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N7O3/c1-18(2)9-5-3-8(4-6-9)7-13-16-11(20)10-14-12(17-15-10)19(21)22/h3-7H,1-2H3,(H,16,20)(H,14,15,17)/b13-7+