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

Systemtic Name: 4-[(E)-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-ethanoylphenyl)-5-methyl-1H-pyrazol-3-one Openeye Name: 2-(4-acetylphenyl)-4-[(E)-(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one CAS Name: 2-(4-acetylphenyl)-4-[(E)-(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(4-acetylphenyl)-4-[(E)-(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(4-acetylphenyl)-4-[(E)-(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-pyrazolin-3-one Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)C)/C=C/3\C=C(C(=O)C(=C3)Br)OC

InChI

InChI=1S/C20H17BrN2O4/c1-11-16(8-13-9-17(21)19(25)18(10-13)27-3)20(26)23(22-11)15-6-4-14(5-7-15)12(2)24/h4-10,22H,1-3H3/b13-8-