3-[(2-chloranylethanoylamino)methyl]-2,6-dimethyl-4-nitro-phenolate

Systemtic Name: 3-[(2-chloranylethanoylamino)methyl]-2,6-dimethyl-4-nitro-phenolate Openeye Name: 3-[[(2-chloroacetyl)amino]methyl]-2,6-dimethyl-4-nitro-phenolate CAS Name: 3-[[(2-chloro-1-oxoethyl)amino]methyl]-2,6-dimethyl-4-nitrophenolate IUPAC Name: 3-[[(2-chloroacetyl)amino]methyl]-2,6-dimethyl-4-nitrophenolate Traditional Name: 3-[[(2-chloroacetyl)amino]methyl]-2,6-dimethyl-4-nitro-phenolate Formula: C11H12ClN2O4- MolecularWeight: 271.67698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1[O-])C)CNC(=O)CCl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1[O-])C)CNC(=O)CCl)[N+](=O)[O-]

InChI

InChI=1S/C11H13ClN2O4/c1-6-3-9(14(17)18)8(7(2)11(6)16)5-13-10(15)4-12/h3,16H,4-5H2,1-2H3,(H,13,15)/p-1