2-[4-[(Z)-3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate

Systemtic Name: 2-[4-[(Z)-3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate Openeye Name: 2-[4-[(Z)-3-(4-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]phenoxy]acetate CAS Name: 2-[4-[(Z)-3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetate IUPAC Name: 2-[4-[(Z)-3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetate Traditional Name: 2-[4-[(Z)-3-(4-bromoanilino)-2-cyano-3-keto-prop-1-enyl]phenoxy]acetate Formula: C18H12BrN2O4- MolecularWeight: 400.20288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)Br)OCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C(/C#N)\C(=O)NC2=CC=C(C=C2)Br)OCC(=O)[O-]

InChI

InChI=1S/C18H13BrN2O4/c19-14-3-5-15(6-4-14)21-18(24)13(10-20)9-12-1-7-16(8-2-12)25-11-17(22)23/h1-9H,11H2,(H,21,24)(H,22,23)/p-1/b13-9-