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

Systemtic Name: (4-ethoxycarbonylphenyl) (3aS)-4-oxidanylidene-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate Openeye Name: (4-ethoxycarbonylphenyl) (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-ethoxycarbonylphenyl) ester IUPAC Name: (4-ethoxycarbonylphenyl) (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-carbethoxyphenyl) ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-2-27-20(25)13-5-8-15(9-6-13)28-21(26)14-7-10-17-16(12-14)22-19(24)18-4-3-11-23(17)18/h5-10,12,18H,2-4,11H2,1H3,(H,22,24)/t18-/m0/s1