11-methyl-9-nitro-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid

Systemtic Name: 11-methyl-9-nitro-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid Openeye Name: 11-methyl-9-nitro-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid CAS Name: 11-methyl-9-nitro-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid IUPAC Name: 11-methyl-9-nitro-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid Traditional Name: 11-methyl-9-nitro-1,2,3,4,5,6-hexahydroazepino[2,3-b]quinoline-2-carboxylic acid Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC3=C1NC(CCC3)C(=O)O)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(CC3=C1NC(CCC3)C(=O)O)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4/c1-17-13-8-11(18(21)22)6-5-9(13)7-10-3-2-4-12(15(19)20)16-14(10)17/h5-6,8,12,16H,2-4,7H2,1H3,(H,19,20)