methyl (1S,3aR)-9-oxidanylidene-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate

Systemtic Name: methyl (1S,3aR)-9-oxidanylidene-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate Openeye Name: methyl (1S,3aR)-9-oxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate CAS Name: (1S,3aR)-9-oxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,3aR)-9-oxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate Traditional Name: (1S,3aR)-9-keto-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylic acid methyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC2N1C(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC(=O)[C@@H]1CC[C@H]2N1C(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C13H14N2O3/c1-18-13(17)10-6-7-11-14-9-5-3-2-4-8(9)12(16)15(10)11/h2-5,10-11,14H,6-7H2,1H3/t10-,11+/m0/s1