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

Systemtic Name: [4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] furan-2-carboxylate Openeye Name: [4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxo-prop-1-enyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxoprop-1-enyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(E)-3-[(4-chlorobenzyl)amino]-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C22H15ClN2O4 MolecularWeight: 406.8185

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=COC(=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H15ClN2O4/c23-18-7-3-16(4-8-18)14-25-21(26)17(13-24)12-15-5-9-19(10-6-15)29-22(27)20-2-1-11-28-20/h1-12H,14H2,(H,25,26)/b17-12+