2-[1-(2-methyl-5-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid

Systemtic Name: 2-[1-(2-methyl-5-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[1-(2-methyl-5-nitro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[1-(2-methyl-5-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[1-(2-methyl-5-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[2,5-diketo-1-(2-methyl-5-nitro-phenyl)pyrrolidin-3-yl]thio]benzoic acid Formula: C18H14N2O6S MolecularWeight: 386.37856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H14N2O6S/c1-10-6-7-11(20(25)26)8-13(10)19-16(21)9-15(17(19)22)27-14-5-3-2-4-12(14)18(23)24/h2-8,15H,9H2,1H3,(H,23,24)