[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C18H25N3O7 MolecularWeight: 395.407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)CCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)CCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C18H25N3O7/c1-12-7-5-8-13(21(25)26)16(12)20-14(22)11-27-15(23)9-6-10-19-17(24)28-18(2,3)4/h5,7-8H,6,9-11H2,1-4H3,(H,19,24)(H,20,22)