ethyl 1-(4-bromophenyl)-5-cyano-6-oxidanylidene-4-[(E)-2-phenylethenyl]pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(4-bromophenyl)-5-cyano-6-oxidanylidene-4-[(E)-2-phenylethenyl]pyridazine-3-carboxylate Openeye Name: ethyl 1-(4-bromophenyl)-5-cyano-6-oxo-4-[(E)-styryl]pyridazine-3-carboxylate CAS Name: 1-(4-bromophenyl)-5-cyano-6-oxo-4-[(E)-2-phenylethenyl]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-bromophenyl)-5-cyano-6-oxo-4-[(E)-2-phenylethenyl]pyridazine-3-carboxylate Traditional Name: 1-(4-bromophenyl)-5-cyano-6-keto-4-[(E)-styryl]pyridazine-3-carboxylic acid ethyl ester Formula: C22H16BrN3O3 MolecularWeight: 450.28474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C(=C1C=CC2=CC=CC=C2)C#N)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C(=C1/C=C/C2=CC=CC=C2)C#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H16BrN3O3/c1-2-29-22(28)20-18(13-8-15-6-4-3-5-7-15)19(14-24)21(27)26(25-20)17-11-9-16(23)10-12-17/h3-13H,2H2,1H3/b13-8+