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

Systemtic Name: 4-[[4-[3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[3-(4-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[3-(4-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=C1COC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)Br)C(=O)O

InChI

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