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

Systemtic Name: 8-nitro-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Openeye Name: 8-nitro-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid CAS Name: 8-nitro-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid IUPAC Name: 8-nitro-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Traditional Name: 8-nitro-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(CN1C3=CC=CC=C3)C(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CN2C(CN1C3=CC=CC=C3)C(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H19N3O4/c23-19(24)16-11-13-10-15(22(25)26)6-7-17(13)21-9-8-20(12-18(16)21)14-4-2-1-3-5-14/h1-7,10,16,18H,8-9,11-12H2,(H,23,24)