3-ethoxycarbonyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid

Systemtic Name: 3-ethoxycarbonyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Openeye Name: 3-ethoxycarbonyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid CAS Name: 3-ethoxycarbonyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid IUPAC Name: 3-ethoxycarbonyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Traditional Name: 3-carbethoxy-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Formula: C16H19N3O6 MolecularWeight: 349.33856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN2C(C1)C(CC3=C2C=CC(=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN2C(C1)C(CC3=C2C=CC(=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H19N3O6/c1-2-25-16(22)17-5-6-18-13-4-3-11(19(23)24)7-10(13)8-12(15(20)21)14(18)9-17/h3-4,7,12,14H,2,5-6,8-9H2,1H3,(H,20,21)