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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C23CCCCC2=CC4=CC(=CC(=C4O3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C23CCCCC2=CC4=CC(=CC(=C4O3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H25ClN2O5/c1-2-28-20(25)14-6-9-23(10-7-14)21-8-4-3-5-16(21)11-15-12-17(22)13-18(24(26)27)19(15)29-21/h11-14H,2-10H2,1H3