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

Systemtic Name: (4-ethanoylphenyl) (3aS)-4-oxidanylidene-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate Openeye Name: (4-acetylphenyl) (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 (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (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 (4-acetylphenyl) ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)N4CCCC4C(=O)N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)N4CCC[C@H]4C(=O)N3

InChI

InChI=1S/C20H18N2O4/c1-12(23)13-4-7-15(8-5-13)26-20(25)14-6-9-17-16(11-14)21-19(24)18-3-2-10-22(17)18/h4-9,11,18H,2-3,10H2,1H3,(H,21,24)/t18-/m0/s1