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

Systemtic Name: 2-[[4-nitro-3-oxidanylidene-2-(phenylmethyl)-1H-isoindol-1-yl]sulfanyl]ethanoic acid Openeye Name: 2-(2-benzyl-4-nitro-3-oxo-isoindolin-1-yl)sulfanylacetic acid CAS Name: 2-[[4-nitro-3-oxo-2-(phenylmethyl)-1H-isoindol-1-yl]thio]acetic acid IUPAC Name: 2-[(2-benzyl-4-nitro-3-oxo-1H-isoindol-1-yl)sulfanyl]acetic acid Traditional Name: 2-[(2-benzyl-3-keto-4-nitro-isoindolin-1-yl)thio]acetic acid Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])SCC(=O)O

InChI

InChI=1S/C17H14N2O5S/c20-14(21)10-25-17-12-7-4-8-13(19(23)24)15(12)16(22)18(17)9-11-5-2-1-3-6-11/h1-8,17H,9-10H2,(H,20,21)