(5-methyl-1,2-oxazol-3-yl)methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: (5-methylisoxazol-3-yl)methyl 2-[(4-chloro-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]acetic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]acetic acid (5-methylisoxazol-3-yl)methyl ester Formula: C14H12ClN3O6 MolecularWeight: 353.71458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)COC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H12ClN3O6/c1-8-4-10(17-24-8)7-23-13(19)6-16-14(20)9-2-3-11(15)12(5-9)18(21)22/h2-5H,6-7H2,1H3,(H,16,20)