(7-chloranyl-1,3-benzodioxol-5-yl)methyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: 9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C20H15ClN2O5 MolecularWeight: 398.7965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)OCC4=CC5=C(C(=C4)Cl)OCO5)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)OCC4=CC5=C(C(=C4)Cl)OCO5)C(=O)N2C1

InChI

InChI=1S/C20H15ClN2O5/c21-14-6-11(7-16-18(14)28-10-27-16)9-26-20(25)12-3-4-13-15(8-12)22-17-2-1-5-23(17)19(13)24/h3-4,6-8H,1-2,5,9-10H2