methyl 2-[[4-[(4-bromanyl-3-nitro-phenyl)carbonylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[4-[(4-bromanyl-3-nitro-phenyl)carbonylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[4-[(4-bromo-3-nitro-benzoyl)amino]piperidine-4-carbonyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[[4-[[(4-bromo-3-nitrophenyl)-oxomethyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-bromo-3-nitrobenzoyl)amino]piperidine-4-carbonyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[4-[(4-bromo-3-nitro-benzoyl)amino]isonipecotoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C17H21BrN4O7 MolecularWeight: 473.27524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1(CCNCC1)NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1(CCNCC1)NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H21BrN4O7/c1-29-15(25)12(9-23)20-16(26)17(4-6-19-7-5-17)21-14(24)10-2-3-11(18)13(8-10)22(27)28/h2-3,8,12,19,23H,4-7,9H2,1H3,(H,20,26)(H,21,24)