[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C17H22ClN3O7 MolecularWeight: 415.82548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3O7/c1-17(2,3)28-16(24)19-8-4-5-15(23)27-10-14(22)20-13-7-6-11(21(25)26)9-12(13)18/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,24)(H,20,22)