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

Systemtic Name: 4-[5-[(Z)-3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 4-[5-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 4-[5-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 4-[5-[(Z)-3-(3-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)Br)NC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C21H13BrN2O4/c22-16-2-1-3-17(11-16)24-20(25)15(12-23)10-18-8-9-19(28-18)13-4-6-14(7-5-13)21(26)27/h1-11H,(H,24,25)(H,26,27)/b15-10-