tert-butyl N-[3-[[2-azanyl-3-(4-nitrophenyl)propanoyl]amino]-2-oxidanylidene-propanoyl]carbamate

Systemtic Name: tert-butyl N-[3-[[2-azanyl-3-(4-nitrophenyl)propanoyl]amino]-2-oxidanylidene-propanoyl]carbamate Openeye Name: tert-butyl N-[3-[[2-amino-3-(4-nitrophenyl)propanoyl]amino]-2-oxo-propanoyl]carbamate CAS Name: N-[3-[[2-amino-3-(4-nitrophenyl)-1-oxopropyl]amino]-1,2-dioxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[2-amino-3-(4-nitrophenyl)propanoyl]amino]-2-oxopropanoyl]carbamate Traditional Name: N-[3-[[2-amino-3-(4-nitrophenyl)propanoyl]amino]-2-keto-propanoyl]carbamic acid tert-butyl ester Formula: C17H22N4O7 MolecularWeight: 394.37918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O7/c1-17(2,3)28-16(25)20-15(24)13(22)9-19-14(23)12(18)8-10-4-6-11(7-5-10)21(26)27/h4-7,12H,8-9,18H2,1-3H3,(H,19,23)(H,20,24,25)