3-nitro-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: 3-nitro-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-[(Z)-[(E)-1-methyl-3-phenyl-prop-2-enylidene]amino]-3-nitro-1H-1,2,4-triazole-5-carboxamide CAS Name: 3-nitro-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]-1H-1,2,4-triazole-5-carboxamide IUPAC Name: 3-nitro-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-[(Z)-[(E)-1-methyl-3-phenyl-prop-2-enylidene]amino]-3-nitro-1H-1,2,4-triazole-5-carboxamide Formula: C13H12N6O3 MolecularWeight: 300.27278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NC(=NN1)[N+](=O)[O-])C=CC2=CC=CC=C2

Isomeric SMILES

C/C(=N/NC(=O)C1=NC(=NN1)[N+](=O)[O-])/C=C/C2=CC=CC=C2

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/h2-8H,1H3,(H,17,20)(H,14,16,18)/b8-7+,15-9-