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

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-ethylphenyl)-5-methyl-1H-pyrazol-3-one Openeye Name: 4-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-ethylphenyl)-5-methyl-1H-pyrazol-3-one CAS Name: 4-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-(4-ethylphenyl)-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-ethylphenyl)-5-methyl-1H-pyrazol-3-one Traditional Name: 4-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-ethylphenyl)-5-methyl-3-pyrazolin-3-one Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)C=C3C=C(C(=O)C(=C3)Br)OC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)C=C3C=C(C(=O)C(=C3)Br)OC

InChI

InChI=1S/C20H19BrN2O3/c1-4-13-5-7-15(8-6-13)23-20(25)16(12(2)22-23)9-14-10-17(21)19(24)18(11-14)26-3/h5-11,22H,4H2,1-3H3