[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H19N3O6/c1-12(20(26)22-13-6-7-16-17(10-13)29-11-28-16)30-19(25)9-8-18-23-15-5-3-2-4-14(15)21(27)24-18/h2-7,10,12H,8-9,11H2,1H3,(H,22,26)(H,23,24,27)