ethyl 7-chloranyl-6-nitro-4-oxidanylidene-1-[1-(phenylmethyl)piperidin-4-yl]quinoline-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-6-nitro-4-oxidanylidene-1-[1-(phenylmethyl)piperidin-4-yl]quinoline-3-carboxylate Openeye Name: ethyl 1-(1-benzyl-4-piperidyl)-7-chloro-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 7-chloro-6-nitro-4-oxo-1-[1-(phenylmethyl)-4-piperidinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-benzylpiperidin-4-yl)-7-chloro-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 1-(1-benzyl-4-piperidyl)-7-chloro-4-keto-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C24H24ClN3O5 MolecularWeight: 469.91746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])Cl)C3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])Cl)C3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H24ClN3O5/c1-2-33-24(30)19-15-27(21-13-20(25)22(28(31)32)12-18(21)23(19)29)17-8-10-26(11-9-17)14-16-6-4-3-5-7-16/h3-7,12-13,15,17H,2,8-11,14H2,1H3