methyl 1-[2-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[4-(3-methyl-1-piperidyl)-3-nitro-benzoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(3-methylpiperidin-1-yl)-3-nitrobenzoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-(3-methylpiperidino)-3-nitro-benzoyl]oxyacetyl]isonipecotic acid methyl ester Formula: C22H29N3O7 MolecularWeight: 447.48156

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCC(CC3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCC(CC3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O7/c1-15-4-3-9-24(13-15)18-6-5-17(12-19(18)25(29)30)22(28)32-14-20(26)23-10-7-16(8-11-23)21(27)31-2/h5-6,12,15-16H,3-4,7-11,13-14H2,1-2H3