[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H20N2O6/c1-14(22(27)24-17-4-2-3-15(11-17)13-23)30-21(26)8-6-18(25)16-5-7-19-20(12-16)29-10-9-28-19/h2-5,7,11-12,14H,6,8-10H2,1H3,(H,24,27)