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

Systemtic Name: ethyl 4-[[4-[(4-bromanyl-3-nitro-phenyl)carbonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[(4-bromo-3-nitro-benzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[(4-bromo-3-nitrophenyl)-oxomethyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(4-bromo-3-nitrobenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[(4-bromo-3-nitro-benzoyl)amino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H28BrN5O6 MolecularWeight: 526.38092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrN5O6/c1-2-33-20(30)26-11-5-15(6-12-26)24-19(29)21(7-9-23-10-8-21)25-18(28)14-3-4-16(22)17(13-14)27(31)32/h3-4,13,15,23H,2,5-12H2,1H3,(H,24,29)(H,25,28)