[4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-ethoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-ethoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]phenyl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]phenyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NCCOC

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NCCOC

InChI

InChI=1S/C22H22N2O5/c1-3-28-20-7-5-4-6-19(20)22(26)29-18-10-8-16(9-11-18)14-17(15-23)21(25)24-12-13-27-2/h4-11,14H,3,12-13H2,1-2H3,(H,24,25)/b17-14+