3-[[4-[3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-[3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[3-(3-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[3-(3-bromoanilino)-2-cyano-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid Formula: C24H17BrN2O4 MolecularWeight: 477.30678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)Br)C(=O)O

InChI

InChI=1S/C24H17BrN2O4/c25-20-5-2-6-21(13-20)27-23(28)19(14-26)11-16-7-9-22(10-8-16)31-15-17-3-1-4-18(12-17)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)