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

Systemtic Name: 2-methylpropyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: isobutyl 2-[(4-chloro-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]acetic acid isobutyl ester Formula: C13H15ClN2O5 MolecularWeight: 314.7216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O5/c1-8(2)7-21-12(17)6-15-13(18)9-3-4-10(14)11(5-9)16(19)20/h3-5,8H,6-7H2,1-2H3,(H,15,18)