ethyl 1-(7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)piperidine-3-carboxylate Openeye Name: ethyl 1-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)piperidine-3-carboxylate CAS Name: 1-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)piperidine-3-carboxylate Traditional Name: 1-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)nipecotic acid ethyl ester Formula: C21H25ClN2O5 MolecularWeight: 420.8866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C23CCCCC2=CC4=CC(=CC(=C4O3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C23CCCCC2=CC4=CC(=CC(=C4O3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H25ClN2O5/c1-2-28-20(25)14-6-5-9-23(13-14)21-8-4-3-7-16(21)10-15-11-17(22)12-18(24(26)27)19(15)29-21/h10-12,14H,2-9,13H2,1H3