phenacyl (3aS)-4-oxidanylidene-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate

Systemtic Name: phenacyl (3aS)-4-oxidanylidene-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate Openeye Name: phenacyl (3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate CAS Name: (3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid phenacyl ester IUPAC Name: phenacyl (3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate Traditional Name: (3aS)-4-keto-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid phenacyl ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)NC3=C(N2C1)C=CC(=C3)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H]2C(=O)NC3=C(N2C1)C=CC(=C3)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H18N2O4/c23-18(13-5-2-1-3-6-13)12-26-20(25)14-8-9-16-15(11-14)21-19(24)17-7-4-10-22(16)17/h1-3,5-6,8-9,11,17H,4,7,10,12H2,(H,21,24)/t17-/m0/s1