[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C18H13ClN2O5 MolecularWeight: 372.75922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C18H13ClN2O5/c1-9(16-20-13-5-3-2-4-11(13)17(22)21-16)26-18(23)10-6-12(19)15-14(7-10)24-8-25-15/h2-7,9H,8H2,1H3,(H,20,21,22)/t9-/m1/s1