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

Systemtic Name: 8-nitro-3-pyridin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Openeye Name: 8-nitro-3-(2-pyridyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid CAS Name: 8-nitro-3-(2-pyridinyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid IUPAC Name: 8-nitro-3-pyridin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Traditional Name: 8-nitro-3-(2-pyridyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(CN1C3=CC=CC=N3)C(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CN2C(CN1C3=CC=CC=N3)C(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H18N4O4/c23-18(24)14-10-12-9-13(22(25)26)4-5-15(12)21-8-7-20(11-16(14)21)17-3-1-2-6-19-17/h1-6,9,14,16H,7-8,10-11H2,(H,23,24)