3-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: 3-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylate Openeye Name: 3-[(2E)-2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[(2E)-2-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylate IUPAC Name: 3-[(2E)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[(N'E)-N'-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]-1H-1,2,4-triazole-5-carboxylate Formula: C13H10N7O3- MolecularWeight: 312.2636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=NNC(=N2)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=NNC(=N2)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C13H11N7O3/c1-7-9(15-17-13-14-10(12(22)23)16-18-13)11(21)20(19-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,22,23)(H2,14,16,17,18)/p-1/b15-9+