4-[(3Z)-3-(3-nitro-5-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-2-yl]benzenecarbonitrile

Systemtic Name: 4-[(3Z)-3-(3-nitro-5-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-2-yl]benzenecarbonitrile Openeye Name: 4-[(3Z)-3-(3-hydroxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-2-yl]benzonitrile CAS Name: 4-[(3Z)-3-(3-hydroxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyrazol-2-yl]benzonitrile IUPAC Name: 4-[(3Z)-3-(3-hydroxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-2-yl]benzonitrile Traditional Name: 4-[(5Z)-5-(3-hydroxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)-3-pyrazolin-1-yl]benzonitrile Formula: C16H10N4O4 MolecularWeight: 322.275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N2C(=C3C=C(C(=O)C(=C3)O)[N+](=O)[O-])C=CN2

Isomeric SMILES

C1=CC(=CC=C1C#N)N2/C(=C\3/C=C(C(=O)C(=C3)O)[N+](=O)[O-])/C=CN2

InChI

InChI=1S/C16H10N4O4/c17-9-10-1-3-12(4-2-10)19-13(5-6-18-19)11-7-14(20(23)24)16(22)15(21)8-11/h1-8,18,21H/b13-11-