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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-methylbut-2-enoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OC)C

Isomeric SMILES

CC(=CC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2)OC)C

InChI

InChI=1S/C21H20N2O5/c1-14(2)9-20(24)28-18-7-6-15(11-19(18)26-3)10-16(12-22)21(25)23-13-17-5-4-8-27-17/h4-11H,13H2,1-3H3,(H,23,25)/b16-10+