2-[(3R)-1-(4-methyl-2-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(3R)-1-(4-methyl-2-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[(3R)-1-(4-methyl-2-nitro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[(3R)-1-(4-methyl-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[(3R)-1-(4-methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[(3R)-2,5-diketo-1-(4-methyl-2-nitro-phenyl)pyrrolidin-3-yl]thio]benzoic acid Formula: C18H14N2O6S MolecularWeight: 386.37856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O6S/c1-10-6-7-12(13(8-10)20(25)26)19-16(21)9-15(17(19)22)27-14-5-3-2-4-11(14)18(23)24/h2-8,15H,9H2,1H3,(H,23,24)/t15-/m1/s1