[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-(5-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-(5-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C16H20ClN3O7 MolecularWeight: 401.7989

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H20ClN3O7/c1-16(2,3)27-15(23)18-7-6-14(22)26-9-13(21)19-11-8-10(17)4-5-12(11)20(24)25/h4-5,8H,6-7,9H2,1-3H3,(H,18,23)(H,19,21)