[4-[(E)-3-[(2-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] furan-2-carboxylate

Systemtic Name: [4-[(E)-3-[(2-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] furan-2-carboxylate Openeye Name: [4-[(E)-3-(2-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(E)-3-(2-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(2-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(E)-3-(2-bromoanilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C21H13BrN2O4 MolecularWeight: 437.24292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CO3)C#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=CO3)/C#N)Br

InChI

InChI=1S/C21H13BrN2O4/c22-17-4-1-2-5-18(17)24-20(25)15(13-23)12-14-7-9-16(10-8-14)28-21(26)19-6-3-11-27-19/h1-12H,(H,24,25)/b15-12+