(6E)-4-nitro-6-(2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-4-nitro-6-(2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-4-nitro-6-(2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-ylidene)cyclohexa-2,4-dien-1-one CAS Name: (6E)-4-nitro-6-(2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-4-nitro-6-(2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: (6E)-4-nitro-6-(2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-ylidene)cyclohexa-2,4-dien-1-one Formula: C18H12N4O3 MolecularWeight: 332.31288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=NC=CC(=C4C=C(C=CC4=O)[N+](=O)[O-])N3N2

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=NC=C/C(=C\4/C=C(C=CC4=O)[N+](=O)[O-])/N3N2

InChI

InChI=1S/C18H12N4O3/c23-17-7-6-13(22(24)25)10-14(17)16-8-9-19-18-11-15(20-21(16)18)12-4-2-1-3-5-12/h1-11,20H/b16-14+