[4-[(E)-3-[(3-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[(E)-3-[(3-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(E)-3-(3-chloroanilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(E)-3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(E)-3-(3-chloroanilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C23H14BrClN2O3 MolecularWeight: 481.72586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C23H14BrClN2O3/c24-18-8-6-16(7-9-18)23(29)30-21-10-4-15(5-11-21)12-17(14-26)22(28)27-20-3-1-2-19(25)13-20/h1-13H,(H,27,28)/b17-12+