3-[5-[3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[3-(4-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 3-[5-[3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[3-(4-bromoanilino)-2-cyano-3-keto-prop-1-enyl]-2-furyl]benzoic acid Formula: C21H13BrN2O4 MolecularWeight: 437.24292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H13BrN2O4/c22-16-4-6-17(7-5-16)24-20(25)15(12-23)11-18-8-9-19(28-18)13-2-1-3-14(10-13)21(26)27/h1-11H,(H,24,25)(H,26,27)