methyl 2-[2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-[2-(3-nitrobenzoyl)hydrazino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[[(3-nitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[N'-(3-nitrobenzoyl)hydrazino]ethyl]thio]acetic acid methyl ester Formula: C12H13N3O6S MolecularWeight: 327.31312

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(=O)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSCC(=O)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O6S/c1-21-11(17)7-22-6-10(16)13-14-12(18)8-3-2-4-9(5-8)15(19)20/h2-5H,6-7H2,1H3,(H,13,16)(H,14,18)