2-[2-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzenecarbonitrile

Systemtic Name: 2-[2-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzenecarbonitrile Openeye Name: 2-[2-[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]benzonitrile CAS Name: 2-[2-[3-methyl-1-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]hydrazinyl]benzonitrile IUPAC Name: 2-[2-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzonitrile Traditional Name: 2-[N'-[5-keto-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-4-ylidene]hydrazino]benzonitrile Formula: C17H12N6O3 MolecularWeight: 348.31558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=CC=C2C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=NNC2=CC=CC=C2C#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O3/c1-11-16(20-19-15-5-3-2-4-12(15)10-18)17(24)22(21-11)13-6-8-14(9-7-13)23(25)26/h2-9,19H,1H3