[2-[(2-methoxy-2-oxidanylidene-ethyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-[(2-methoxy-2-oxidanylidene-ethyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-[(2-methoxy-2-oxo-ethyl)-methyl-amino]-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-[(2-methoxy-2-oxoethyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-keto-2-[(2-keto-2-methoxy-ethyl)-methyl-amino]ethyl] ester Formula: C14H16N2O7S MolecularWeight: 356.35104

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C(=O)COC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)OC)C(=O)COC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O7S/c1-15(7-13(18)22-2)12(17)8-23-14(19)9-4-5-11(24-3)10(6-9)16(20)21/h4-6H,7-8H2,1-3H3