3-nitro-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]-1H-1,2,4-triazole-5-carbohydrazide

Systemtic Name: 3-nitro-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]-1H-1,2,4-triazole-5-carbohydrazide Openeye Name: N'-[(E)-1-methylene-3-phenyl-allyl]-3-nitro-1H-1,2,4-triazole-5-carbohydrazide CAS Name: 3-nitro-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]-1H-1,2,4-triazole-5-carbohydrazide IUPAC Name: 3-nitro-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]-1H-1,2,4-triazole-5-carbohydrazide Traditional Name: N'-[(E)-1-methylene-3-phenyl-allyl]-3-nitro-1H-1,2,4-triazole-5-carbohydrazide Formula: C13H12N6O3 MolecularWeight: 300.27278

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C=CC1=CC=CC=C1)NNC(=O)C2=NC(=NN2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H12N6O3/c1-9(7-8-10-5-3-2-4-6-10)15-17-12(20)11-14-13(18-16-11)19(21)22/h2-8,15H,1H2,(H,17,20)(H,14,16,18)/b8-7+