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

Systemtic Name: 2-(3,4-dimethylphenyl)-5-methyl-4-[(E)-[(5E)-5-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)furan-2-ylidene]methyl]-1H-pyrazol-3-one Openeye Name: 2-(3,4-dimethylphenyl)-5-methyl-4-[(E)-[(5E)-5-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-2-furylidene]methyl]-1H-pyrazol-3-one CAS Name: 2-(3,4-dimethylphenyl)-5-methyl-4-[(E)-[(5E)-5-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)-2-furanylidene]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(3,4-dimethylphenyl)-5-methyl-4-[(E)-[(5E)-5-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)furan-2-ylidene]methyl]-1H-pyrazol-3-one Traditional Name: 2-(3,4-dimethylphenyl)-4-[(E)-[(5E)-5-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)-2-furylidene]methyl]-5-methyl-3-pyrazolin-3-one Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)C=C3C=CC(=C4C=C(C=CC4=O)[N+](=O)[O-])O3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)/C=C/3\C=C/C(=C\4/C=C(C=CC4=O)[N+](=O)[O-])/O3)C

InChI

InChI=1S/C23H19N3O5/c1-13-4-5-16(10-14(13)2)25-23(28)19(15(3)24-25)12-18-7-9-22(31-18)20-11-17(26(29)30)6-8-21(20)27/h4-12,24H,1-3H3/b18-12+,22-20+