[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-chloranylbutanoate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-chloranylbutanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] 4-chlorobutanoate CAS Name: 4-chlorobutanoic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 4-chlorobutanoate Traditional Name: 4-chlorobutyric acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C19H17ClN2O4 MolecularWeight: 372.80228

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)C(=CC2=CC=C(C=C2)OC(=O)CCCCl)C#N

Isomeric SMILES

C1=COC(=C1)CNC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)CCCCl)/C#N

InChI

InChI=1S/C19H17ClN2O4/c20-9-1-4-18(23)26-16-7-5-14(6-8-16)11-15(12-21)19(24)22-13-17-3-2-10-25-17/h2-3,5-8,10-11H,1,4,9,13H2,(H,22,24)/b15-11+