tert-butyl (2S)-5-azanyl-2-[(7-nitro-3-oxidanylidene-1H-isoindol-2-yl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl (2S)-5-azanyl-2-[(7-nitro-3-oxidanylidene-1H-isoindol-2-yl)amino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl (2S)-5-amino-2-[(4-nitro-1-oxo-isoindolin-2-yl)amino]-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-[(7-nitro-3-oxo-1H-isoindol-2-yl)amino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-5-amino-2-[(7-nitro-3-oxo-1H-isoindol-2-yl)amino]-5-oxopentanoate Traditional Name: (2S)-5-amino-5-keto-2-[(1-keto-4-nitro-isoindolin-2-yl)amino]valeric acid tert-butyl ester Formula: C17H22N4O6 MolecularWeight: 378.37978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)N)NN1CC2=C(C1=O)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCC(=O)N)NN1CC2=C(C1=O)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O6/c1-17(2,3)27-16(24)12(7-8-14(18)22)19-20-9-11-10(15(20)23)5-4-6-13(11)21(25)26/h4-6,12,19H,7-9H2,1-3H3,(H2,18,22)/t12-/m0/s1