3-oxidanylidenebutan-2-yl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: (1-methyl-2-oxo-propyl) 2-[(4-chloro-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]acetic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]acetic acid (2-keto-1-methyl-propyl) ester Formula: C13H13ClN2O6 MolecularWeight: 328.70512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O6/c1-7(17)8(2)22-12(18)6-15-13(19)9-3-4-10(14)11(5-9)16(20)21/h3-5,8H,6H2,1-2H3,(H,15,19)