ethyl 1-[2-[4-(azepan-1-yl)-3-nitro-phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[4-(azepan-1-yl)-3-nitro-phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[4-(azepan-1-yl)-3-nitro-benzoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-(1-azepanyl)-3-nitrophenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(azepan-1-yl)-3-nitrobenzoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-(azepan-1-yl)-3-nitro-benzoyl]oxyacetyl]isonipecotic acid ethyl ester Formula: C23H31N3O7 MolecularWeight: 461.50814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H31N3O7/c1-2-32-22(28)17-9-13-25(14-10-17)21(27)16-33-23(29)18-7-8-19(20(15-18)26(30)31)24-11-5-3-4-6-12-24/h7-8,15,17H,2-6,9-14,16H2,1H3