4-(5-azanyl-2-chloranyl-4-nitro-phenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

Systemtic Name: 4-(5-azanyl-2-chloranyl-4-nitro-phenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Openeye Name: 4-(5-amino-2-chloro-4-nitro-phenyl)-1-tert-butoxycarbonyl-piperazine-2-carboxylic acid CAS Name: 4-(5-amino-2-chloro-4-nitrophenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 4-(5-amino-2-chloro-4-nitrophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Traditional Name: 4-(5-amino-2-chloro-4-nitro-phenyl)-1-tert-butoxycarbonyl-piperazine-2-carboxylic acid Formula: C16H21ClN4O6 MolecularWeight: 400.81414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1C(=O)O)C2=CC(=C(C=C2Cl)[N+](=O)[O-])N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1C(=O)O)C2=CC(=C(C=C2Cl)[N+](=O)[O-])N

InChI

InChI=1S/C16H21ClN4O6/c1-16(2,3)27-15(24)20-5-4-19(8-13(20)14(22)23)11-7-10(18)12(21(25)26)6-9(11)17/h6-7,13H,4-5,8,18H2,1-3H3,(H,22,23)