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

Systemtic Name: 5-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H11ClN6O4 MolecularWeight: 410.77074

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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=C(C4=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H11ClN6O4/c19-12-6-11(16(26)15(7-12)25(28)29)8-21-23-10-20-17-14(18(23)27)9-22-24(17)13-4-2-1-3-5-13/h1-10,21H