2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-nitrophenyl)sulfanyl-propanoic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-nitrophenyl)sulfanyl-propanoic acid Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-3-(4-nitrophenyl)sulfanyl-propanoic acid CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-[(4-nitrophenyl)thio]propanoic acid IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)sulfanylpropanoic acid Traditional Name: 3-[(4-nitrophenyl)thio]-2-phthalimido-propionic acid Formula: C17H12N2O6S MolecularWeight: 372.35198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CSC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CSC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H12N2O6S/c20-15-12-3-1-2-4-13(12)16(21)18(15)14(17(22)23)9-26-11-7-5-10(6-8-11)19(24)25/h1-8,14H,9H2,(H,22,23)