2-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(5-nitroindolin-1-yl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(5-nitroindolin-1-yl)ethyl]thio]benzoic acid Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)CSC3=CC=CC=C3C(=O)O

InChI

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