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

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-methylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic 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-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]phenyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NCCOC

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NCCOC

InChI

InChI=1S/C21H20N2O4/c1-15-5-3-4-6-19(15)21(25)27-18-9-7-16(8-10-18)13-17(14-22)20(24)23-11-12-26-2/h3-10,13H,11-12H2,1-2H3,(H,23,24)/b17-13+