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

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

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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(=CC=C3)Br

Isomeric SMILES

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

InChI

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