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

Systemtic Name: 4-[[4-[(Z)-3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: 4-[[4-[(Z)-3-(4-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(Z)-3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoate IUPAC Name: 4-[[4-[(Z)-3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(Z)-3-(4-bromoanilino)-2-cyano-3-keto-prop-1-enyl]phenoxy]methyl]benzoate Formula: C24H16BrN2O4- MolecularWeight: 476.29884

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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)/p-1/b19-13-