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

Systemtic Name: 4-[(4-chloranyl-2-nitro-phenyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-(4-chloro-2-nitro-anilino)piperazine-2-carboxylic acid CAS Name: 4-(4-chloro-2-nitroanilino)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 4-(4-chloro-2-nitroanilino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-(4-chloro-2-nitro-anilino)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)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1C(=O)O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H21ClN4O6/c1-16(2,3)27-15(24)20-7-6-19(9-13(20)14(22)23)18-11-5-4-10(17)8-12(11)21(25)26/h4-5,8,13,18H,6-7,9H2,1-3H3,(H,22,23)