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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-methoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic 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] 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3

Isomeric SMILES

COC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3

InChI

InChI=1S/C23H18N2O5/c1-28-21-7-3-2-6-20(21)23(27)30-18-10-8-16(9-11-18)13-17(14-24)22(26)25-15-19-5-4-12-29-19/h2-13H,15H2,1H3,(H,25,26)/b17-13+