methyl 2-[[4-nitro-3-oxidanylidene-2-(phenylmethyl)-1H-isoindol-1-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-nitro-3-oxidanylidene-2-(phenylmethyl)-1H-isoindol-1-yl]sulfanyl]ethanoate Openeye Name: methyl 2-(2-benzyl-4-nitro-3-oxo-isoindolin-1-yl)sulfanylacetate CAS Name: 2-[[4-nitro-3-oxo-2-(phenylmethyl)-1H-isoindol-1-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(2-benzyl-4-nitro-3-oxo-1H-isoindol-1-yl)sulfanyl]acetate Traditional Name: 2-[(2-benzyl-3-keto-4-nitro-isoindolin-1-yl)thio]acetic acid methyl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O5S/c1-25-15(21)11-26-18-13-8-5-9-14(20(23)24)16(13)17(22)19(18)10-12-6-3-2-4-7-12/h2-9,18H,10-11H2,1H3