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

Systemtic Name: 4-[[4-[(Z)-3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: 4-[[4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoate IUPAC Name: 4-[[4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(Z)-3-(3-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(=C1)Br)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)/C(=C\C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-])/C#N

InChI

InChI=1S/C24H17BrN2O4/c25-20-2-1-3-21(13-20)27-23(28)19(14-26)12-16-6-10-22(11-7-16)31-15-17-4-8-18(9-5-17)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/p-1/b19-12-