ethyl 4-[[4-[2-(2-nitrophenoxy)ethanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[2-(2-nitrophenoxy)ethanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[[2-(2-nitrophenoxy)acetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[[2-(2-nitrophenoxy)acetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[[2-(2-nitrophenoxy)acetyl]amino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H31N5O7 MolecularWeight: 477.51084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H31N5O7/c1-2-33-21(30)26-13-7-16(8-14-26)24-20(29)22(9-11-23-12-10-22)25-19(28)15-34-18-6-4-3-5-17(18)27(31)32/h3-6,16,23H,2,7-15H2,1H3,(H,24,29)(H,25,28)