[4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-3-carboxylate Openeye Name: [4-[(E)-3-(4-bromophenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(E)-3-(4-bromophenyl)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H16BrNO4 MolecularWeight: 438.27074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)Br)OC(=O)C3=CN=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)Br)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H16BrNO4/c1-27-21-13-15(4-10-19(25)16-6-8-18(23)9-7-16)5-11-20(21)28-22(26)17-3-2-12-24-14-17/h2-14H,1H3/b10-4+