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

Systemtic Name: methyl 4-[[3-[3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[3-[3-(4-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[3-[3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[3-[3-(4-bromoanilino)-2-cyano-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C25H19BrN2O4 MolecularWeight: 491.33336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19BrN2O4/c1-31-25(30)19-7-5-17(6-8-19)16-32-23-4-2-3-18(14-23)13-20(15-27)24(29)28-22-11-9-21(26)10-12-22/h2-14H,16H2,1H3,(H,28,29)