4-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]benzoate

Systemtic Name: 4-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]benzoate Openeye Name: 4-[(2E)-2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]benzoate CAS Name: 4-[(2E)-2-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]benzoate IUPAC Name: 4-[(2E)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]benzoate Traditional Name: 4-[(N'E)-N'-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]benzoate Formula: C17H13N4O3- MolecularWeight: 321.31012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H14N4O3/c1-11-15(16(22)21(20-11)14-5-3-2-4-6-14)19-18-13-9-7-12(8-10-13)17(23)24/h2-10,18H,1H3,(H,23,24)/p-1/b19-15+