methyl 2-[4-[(2-chloranylethanoylamino)methyl]-2-nitro-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[(2-chloranylethanoylamino)methyl]-2-nitro-phenoxy]ethanoate Openeye Name: methyl 2-[4-[[(2-chloroacetyl)amino]methyl]-2-nitro-phenoxy]acetate CAS Name: 2-[4-[[(2-chloro-1-oxoethyl)amino]methyl]-2-nitrophenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[(2-chloroacetyl)amino]methyl]-2-nitrophenoxy]acetate Traditional Name: 2-[4-[[(2-chloroacetyl)amino]methyl]-2-nitro-phenoxy]acetic acid methyl ester Formula: C12H13ClN2O6 MolecularWeight: 316.69442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=C(C=C1)CNC(=O)CCl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)COC1=C(C=C(C=C1)CNC(=O)CCl)[N+](=O)[O-]

InChI

InChI=1S/C12H13ClN2O6/c1-20-12(17)7-21-10-3-2-8(4-9(10)15(18)19)6-14-11(16)5-13/h2-4H,5-7H2,1H3,(H,14,16)