[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C18H12BrClN2O3 MolecularWeight: 419.65648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)Br

InChI

InChI=1S/C18H12BrClN2O3/c19-14-5-1-12(2-6-14)3-8-18(24)25-11-17(23)22-15-7-4-13(10-21)16(20)9-15/h1-9H,11H2,(H,22,23)/b8-3+