methyl 2-[(4-methoxy-2-nitro-phenyl)sulfonyl-(2-oxidanylideneethyl)amino]ethanoate

Systemtic Name: methyl 2-[(4-methoxy-2-nitro-phenyl)sulfonyl-(2-oxidanylideneethyl)amino]ethanoate Openeye Name: methyl 2-[(4-methoxy-2-nitro-phenyl)sulfonyl-(2-oxoethyl)amino]acetate CAS Name: 2-[(4-methoxy-2-nitrophenyl)sulfonyl-(2-oxoethyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[(4-methoxy-2-nitrophenyl)sulfonyl-(2-oxoethyl)amino]acetate Traditional Name: 2-[2-ketoethyl-(4-methoxy-2-nitro-phenyl)sulfonyl-amino]acetic acid methyl ester Formula: C12H14N2O8S MolecularWeight: 346.31316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)N(CC=O)CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)N(CC=O)CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O8S/c1-21-9-3-4-11(10(7-9)14(17)18)23(19,20)13(5-6-15)8-12(16)22-2/h3-4,6-7H,5,8H2,1-2H3