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

Systemtic Name: 2-(3-chloranyl-4-methyl-phenyl)-4-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one Openeye Name: 2-(3-chloro-4-methyl-phenyl)-4-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one CAS Name: 2-(3-chloro-4-methylphenyl)-4-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(3-chloro-4-methylphenyl)-4-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(3-chloro-4-methyl-phenyl)-4-[(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-pyrazolin-3-one Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)C=C3C=C(C(=O)C(=C3)OC)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)C=C3C=C(C(=O)C(=C3)OC)OC)Cl

InChI

InChI=1S/C20H19ClN2O4/c1-11-5-6-14(10-16(11)21)23-20(25)15(12(2)22-23)7-13-8-17(26-3)19(24)18(9-13)27-4/h5-10,22H,1-4H3