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

Systemtic Name: [4-[2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-methoxybenzoate Openeye Name: [4-[2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid [4-[2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [4-[2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C25H22N2O6/c1-3-31-23-14-17(13-18(15-26)24(28)27-16-19-7-6-12-32-19)10-11-22(23)33-25(29)20-8-4-5-9-21(20)30-2/h4-14H,3,16H2,1-2H3,(H,27,28)