[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-[(4-chloro-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]acetic acid [1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]acetic acid [2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21ClN4O7 MolecularWeight: 428.82424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O7/c1-9(14(24)20-16(26)21-17(2,3)4)29-13(23)8-19-15(25)10-5-6-11(18)12(7-10)22(27)28/h5-7,9H,8H2,1-4H3,(H,19,25)(H2,20,21,24,26)