[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2,4,6-trimethylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2,4,6-trimethylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic 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] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3)C

InChI

InChI=1S/C25H22N2O4/c1-16-11-17(2)23(18(3)12-16)25(29)31-21-8-6-19(7-9-21)13-20(14-26)24(28)27-15-22-5-4-10-30-22/h4-13H,15H2,1-3H3,(H,27,28)/b20-13+