[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-carboxylate

Systemtic Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-carboxylate Openeye Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate CAS Name: 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate Traditional Name: 2-keto-3,4-dihydro-1H-quinoline-6-carboxylic acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3=CC4=C(C=C3)NC(=O)CC4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3=CC4=C(C=C3)NC(=O)CC4

InChI

InChI=1S/C21H20N2O6/c1-12(13-3-6-17-18(9-13)29-11-28-17)22-20(25)10-27-21(26)15-2-5-16-14(8-15)4-7-19(24)23-16/h2-3,5-6,8-9,12H,4,7,10-11H2,1H3,(H,22,25)(H,23,24)