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

Systemtic Name: 4-[(E)-(3-bromanyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-one Openeye Name: 4-[(E)-(3-bromo-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-one CAS Name: 4-[(E)-(3-bromo-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-[(E)-(3-bromo-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-one Traditional Name: 4-[(E)-(3-bromo-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-chlorophenyl)-5-methyl-3-pyrazolin-3-one Formula: C19H16BrClN2O3 MolecularWeight: 435.69894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C(NN(C2=O)C3=CC=C(C=C3)Cl)C)C=C(C1=O)Br

Isomeric SMILES

CCOC1=C/C(=C\C2=C(NN(C2=O)C3=CC=C(C=C3)Cl)C)/C=C(C1=O)Br

InChI

InChI=1S/C19H16BrClN2O3/c1-3-26-17-10-12(9-16(20)18(17)24)8-15-11(2)22-23(19(15)25)14-6-4-13(21)5-7-14/h4-10,22H,3H2,1-2H3/b12-8-