ethyl 4-[[4-[2-(4-chloranyl-3-nitro-phenyl)ethanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[2-(4-chloranyl-3-nitro-phenyl)ethanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[[2-(4-chloro-3-nitro-phenyl)acetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[2-(4-chloro-3-nitrophenyl)-1-oxoethyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[[2-(4-chloro-3-nitrophenyl)acetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[[2-(4-chloro-3-nitro-phenyl)acetyl]amino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H30ClN5O6 MolecularWeight: 495.9565

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H30ClN5O6/c1-2-34-21(31)27-11-5-16(6-12-27)25-20(30)22(7-9-24-10-8-22)26-19(29)14-15-3-4-17(23)18(13-15)28(32)33/h3-4,13,16,24H,2,5-12,14H2,1H3,(H,25,30)(H,26,29)