4-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one Openeye Name: 4-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one CAS Name: 4-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one Traditional Name: 4-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(3,4-dichlorophenyl)-5-methyl-3-pyrazolin-3-one Formula: C18H13BrCl2N2O3 MolecularWeight: 456.11742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)Cl)C=C3C=C(C(=O)C(=C3)Br)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)Cl)C=C3C=C(C(=O)C(=C3)Br)OC

InChI

InChI=1S/C18H13BrCl2N2O3/c1-9-12(5-10-6-13(19)17(24)16(7-10)26-2)18(25)23(22-9)11-3-4-14(20)15(21)8-11/h3-8,22H,1-2H3