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

Systemtic Name: 3-methyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Openeye Name: 3-methyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid CAS Name: 3-methyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid IUPAC Name: 3-methyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Traditional Name: 3-methyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxylic acid Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN2C(C1)C(CC3=C2C=CC(=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN1CCN2C(C1)C(CC3=C2C=CC(=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H17N3O4/c1-15-4-5-16-12-3-2-10(17(20)21)6-9(12)7-11(14(18)19)13(16)8-15/h2-3,6,11,13H,4-5,7-8H2,1H3,(H,18,19)