N-[(E)-(4-methylphenyl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-[(E)-(4-methylphenyl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-[(E)-p-tolylmethyleneamino]acetamide CAS Name: N-[(E)-(4-methylphenyl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-[(E)-(4-methylphenyl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-[(E)-(4-methylbenzylidene)amino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C12H12N6O3 MolecularWeight: 288.26208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=NNC(=O)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/C=N/NC(=O)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O3/c1-9-2-4-10(5-3-9)6-14-15-11(19)7-17-8-13-12(16-17)18(20)21/h2-6,8H,7H2,1H3,(H,15,19)/b14-6+