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

Systemtic Name: 3-cyclopentyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Openeye Name: 3-cyclopentyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid CAS Name: 3-cyclopentyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid IUPAC Name: 3-cyclopentyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Traditional Name: 3-cyclopentyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCN3C(C2)C(CC4=C3C=CC(=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCC(C1)N2CCN3C(C2)C(CC4=C3C=CC(=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H23N3O4/c22-18(23)15-10-12-9-14(21(24)25)5-6-16(12)20-8-7-19(11-17(15)20)13-3-1-2-4-13/h5-6,9,13,15,17H,1-4,7-8,10-11H2,(H,22,23)