methyl 3-[[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-(3-nitroanilino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-(3-nitroanilino)-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-nitroanilino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-keto-2-(3-nitroanilino)ethyl]thio]methyl]benzoic acid methyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c1-24-17(21)13-5-2-4-12(8-13)10-25-11-16(20)18-14-6-3-7-15(9-14)19(22)23/h2-9H,10-11H2,1H3,(H,18,20)