methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-nitro-benzoate

Systemtic Name: methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-nitro-benzoate Openeye Name: methyl 2-(2-amino-2-oxo-ethyl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(2-amino-2-oxoethyl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-5-nitro-benzoic acid methyl ester Formula: C10H10N2O5S MolecularWeight: 270.2618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SCC(=O)N

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SCC(=O)N

InChI

InChI=1S/C10H10N2O5S/c1-17-10(14)7-4-6(12(15)16)2-3-8(7)18-5-9(11)13/h2-4H,5H2,1H3,(H2,11,13)