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

Systemtic Name: 8-nitro-3-propan-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Openeye Name: 3-isopropyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid CAS Name: 8-nitro-3-propan-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid IUPAC Name: 8-nitro-3-propan-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Traditional Name: 3-isopropyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4/c1-10(2)17-5-6-18-14-4-3-12(19(22)23)7-11(14)8-13(16(20)21)15(18)9-17/h3-4,7,10,13,15H,5-6,8-9H2,1-2H3,(H,20,21)