(4Z)-4-[2-(3-chlorophenyl)-4-phenyl-1H-pyrazol-3-ylidene]-2-nitro-6-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[2-(3-chlorophenyl)-4-phenyl-1H-pyrazol-3-ylidene]-2-nitro-6-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[2-(3-chlorophenyl)-4-phenyl-1H-pyrazol-3-ylidene]-2-hydroxy-6-nitro-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[2-(3-chlorophenyl)-4-phenyl-1H-pyrazol-3-ylidene]-2-hydroxy-6-nitro-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[2-(3-chlorophenyl)-4-phenyl-1H-pyrazol-3-ylidene]-2-hydroxy-6-nitrocyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[2-(3-chlorophenyl)-4-phenyl-3-pyrazolin-3-ylidene]-2-hydroxy-6-nitro-cyclohexa-2,5-dien-1-one Formula: C21H14ClN3O4 MolecularWeight: 407.80656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CNN(C2=C3C=C(C(=O)C(=C3)O)[N+](=O)[O-])C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C\2=CNN(/C2=C\3/C=C(C(=O)C(=C3)O)[N+](=O)[O-])C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H14ClN3O4/c22-15-7-4-8-16(11-15)24-20(17(12-23-24)13-5-2-1-3-6-13)14-9-18(25(28)29)21(27)19(26)10-14/h1-12,23,26H/b20-14-