5-[[4-[3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-[3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[3-(3-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-[3-(3-bromoanilino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenoxy]methyl]-2-furoic acid Formula: C23H17BrN2O6 MolecularWeight: 497.29488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)Br)OCC3=CC=C(O3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)Br)OCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C23H17BrN2O6/c1-30-21-10-14(5-7-19(21)31-13-18-6-8-20(32-18)23(28)29)9-15(12-25)22(27)26-17-4-2-3-16(24)11-17/h2-11H,13H2,1H3,(H,26,27)(H,28,29)