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

Systemtic Name: 5-methyl-4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-methyl-4-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C=C(C=CC3=O)[N+](=O)[O-]

InChI

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