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

Systemtic Name: 8-nitro-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Openeye Name: 8-nitro-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid CAS Name: 8-nitro-3-(2-pyrimidinyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid IUPAC Name: 8-nitro-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Traditional Name: 8-nitro-3-(2-pyrimidyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O4/c23-16(24)13-9-11-8-12(22(25)26)2-3-14(11)21-7-6-20(10-15(13)21)17-18-4-1-5-19-17/h1-5,8,13,15H,6-7,9-10H2,(H,23,24)