(6E)-6-[5-methyl-4-nitro-2-(phenylcarbonyl)-1H-pyrazol-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[5-methyl-4-nitro-2-(phenylcarbonyl)-1H-pyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-(2-benzoyl-5-methyl-4-nitro-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-(2-benzoyl-5-methyl-4-nitro-1H-pyrazol-3-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(2-benzoyl-5-methyl-4-nitro-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-(2-benzoyl-5-methyl-4-nitro-3-pyrazolin-3-ylidene)cyclohexa-2,4-dien-1-one Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC=CC2=O)N(N1)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(/C(=C\2/C=CC=CC2=O)/N(N1)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O4/c1-11-15(20(23)24)16(13-9-5-6-10-14(13)21)19(18-11)17(22)12-7-3-2-4-8-12/h2-10,18H,1H3/b16-13+