2-[2-[(7-chloranyl-6-nitro-2-oxidanylidene-3-thiophen-2-yl-1H-quinolin-4-yl)oxy]ethyl]piperidine-1-carboxylic acid

Systemtic Name: 2-[2-[(7-chloranyl-6-nitro-2-oxidanylidene-3-thiophen-2-yl-1H-quinolin-4-yl)oxy]ethyl]piperidine-1-carboxylic acid Openeye Name: 2-[2-[[7-chloro-6-nitro-2-oxo-3-(2-thienyl)-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid CAS Name: 2-[2-[(7-chloro-6-nitro-2-oxo-3-thiophen-2-yl-1H-quinolin-4-yl)oxy]ethyl]-1-piperidinecarboxylic acid IUPAC Name: 2-[2-[(7-chloro-6-nitro-2-oxo-3-thiophen-2-yl-1H-quinolin-4-yl)oxy]ethyl]piperidine-1-carboxylic acid Traditional Name: 2-[2-[[7-chloro-2-keto-6-nitro-3-(2-thienyl)-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid Formula: C21H20ClN3O6S MolecularWeight: 477.918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCOC2=C(C(=O)NC3=CC(=C(C=C32)[N+](=O)[O-])Cl)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CCN(C(C1)CCOC2=C(C(=O)NC3=CC(=C(C=C32)[N+](=O)[O-])Cl)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C21H20ClN3O6S/c22-14-11-15-13(10-16(14)25(29)30)19(18(20(26)23-15)17-5-3-9-32-17)31-8-6-12-4-1-2-7-24(12)21(27)28/h3,5,9-12H,1-2,4,6-8H2,(H,23,26)(H,27,28)