2-[2-[7-chloranyl-3-(3,5-dimethylphenyl)-1-methyl-6-nitro-2-oxidanylidene-quinolin-4-yl]oxyethyl]piperidine-1-carboxylic acid

Systemtic Name: 2-[2-[7-chloranyl-3-(3,5-dimethylphenyl)-1-methyl-6-nitro-2-oxidanylidene-quinolin-4-yl]oxyethyl]piperidine-1-carboxylic acid Openeye Name: 2-[2-[[7-chloro-3-(3,5-dimethylphenyl)-1-methyl-6-nitro-2-oxo-4-quinolyl]oxy]ethyl]piperidine-1-carboxylic acid CAS Name: 2-[2-[[7-chloro-3-(3,5-dimethylphenyl)-1-methyl-6-nitro-2-oxo-4-quinolinyl]oxy]ethyl]-1-piperidinecarboxylic acid IUPAC Name: 2-[2-[7-chloro-3-(3,5-dimethylphenyl)-1-methyl-6-nitro-2-oxoquinolin-4-yl]oxyethyl]piperidine-1-carboxylic acid Traditional Name: 2-[2-[[7-chloro-3-(3,5-dimethylphenyl)-2-keto-1-methyl-6-nitro-4-quinolyl]oxy]ethyl]piperidine-1-carboxylic acid Formula: C26H28ClN3O6 MolecularWeight: 513.97002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3N(C2=O)C)Cl)[N+](=O)[O-])OCCC4CCCCN4C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3N(C2=O)C)Cl)[N+](=O)[O-])OCCC4CCCCN4C(=O)O)C

InChI

InChI=1S/C26H28ClN3O6/c1-15-10-16(2)12-17(11-15)23-24(36-9-7-18-6-4-5-8-29(18)26(32)33)19-13-22(30(34)35)20(27)14-21(19)28(3)25(23)31/h10-14,18H,4-9H2,1-3H3,(H,32,33)