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

Systemtic Name: ethyl (1S,3aR)-9-oxidanylidene-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3/c1-2-19-14(18)11-7-8-12-15-10-6-4-3-5-9(10)13(17)16(11)12/h3-6,11-12,15H,2,7-8H2,1H3/t11-,12+/m0/s1