ethyl 1-cyclopropyl-7-[3-(hydroxymethyl)piperidin-1-yl]-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-7-[3-(hydroxymethyl)piperidin-1-yl]-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-7-[3-(hydroxymethyl)-1-piperidyl]-8-methyl-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-7-[3-(hydroxymethyl)-1-piperidinyl]-8-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-7-[3-(hydroxymethyl)piperidin-1-yl]-8-methyl-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-4-keto-8-methyl-7-(3-methylolpiperidino)-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)[N+](=O)[O-])N3CCCC(C3)CO)C)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)[N+](=O)[O-])N3CCCC(C3)CO)C)C4CC4

InChI

InChI=1S/C22H27N3O6/c1-3-31-22(28)17-11-24(15-6-7-15)19-13(2)20(23-8-4-5-14(10-23)12-26)18(25(29)30)9-16(19)21(17)27/h9,11,14-15,26H,3-8,10,12H2,1-2H3