[3-[(E)-3-[(5-chloranyl-2-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] furan-2-carboxylate

Systemtic Name: [3-[(E)-3-[(5-chloranyl-2-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] furan-2-carboxylate Openeye Name: [3-[(E)-3-(5-chloro-2-methyl-anilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [3-[(E)-3-(5-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-3-(5-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [3-[(E)-3-(5-chloro-2-methyl-anilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C22H15ClN2O4 MolecularWeight: 406.8185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC=CO3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)/C(=C/C2=CC(=CC=C2)OC(=O)C3=CC=CO3)/C#N

InChI

InChI=1S/C22H15ClN2O4/c1-14-7-8-17(23)12-19(14)25-21(26)16(13-24)10-15-4-2-5-18(11-15)29-22(27)20-6-3-9-28-20/h2-12H,1H3,(H,25,26)/b16-10+