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

Systemtic Name: 1-(7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-3,5-dimethyl-piperidine Openeye Name: 1-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-3,5-dimethyl-piperidine CAS Name: 1-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-3,5-dimethylpiperidine IUPAC Name: 1-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-3,5-dimethylpiperidine Traditional Name: 1-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-3,5-dimethyl-piperidine Formula: C20H25ClN2O3 MolecularWeight: 376.8771

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C23CCCCC2=CC4=CC(=CC(=C4O3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1CC(CN(C1)C23CCCCC2=CC4=CC(=CC(=C4O3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C20H25ClN2O3/c1-13-7-14(2)12-22(11-13)20-6-4-3-5-16(20)8-15-9-17(21)10-18(23(24)25)19(15)26-20/h8-10,13-14H,3-7,11-12H2,1-2H3