5-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H12N6O4 MolecularWeight: 376.32568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC=C4C=C(C=CC4=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC=C4C=C(C=CC4=O)[N+](=O)[O-]

InChI

InChI=1S/C18H12N6O4/c25-16-7-6-14(24(27)28)8-12(16)9-20-22-11-19-17-15(18(22)26)10-21-23(17)13-4-2-1-3-5-13/h1-11,20H