ethyl 4-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O5/c1-3-30-21(27)24-12-8-17(9-13-24)22-20(26)16-4-5-18(19(14-16)25(28)29)23-10-6-15(2)7-11-23/h4-5,14-15,17H,3,6-13H2,1-2H3,(H,22,26)