3-azanyl-5-[1-cyano-2-(5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylidene]-2-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[1-cyano-2-(5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylidene]-2-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[1-cyano-2-(5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)ethylidene]-2-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[1-cyano-2-(5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)ethylidene]-2-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[1-cyano-2-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)ethylidene]-2-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[1-cyano-2-(6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)ethylidene]-1-(2-hydroxyethyl)-3-pyrazoline-4-carbonitrile Formula: C15H12N6O4 MolecularWeight: 340.29358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C2C(=C(N(N2)CCO)N)C#N)C#N)C(=O)C(=C1)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C2C(=C(N(N2)CCO)N)C#N)C#N)C(=O)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H12N6O4/c16-7-10(6-9-2-1-3-12(14(9)23)21(24)25)13-11(8-17)15(18)20(19-13)4-5-22/h1-3,6,19,22H,4-5,18H2