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

Systemtic Name: 2-[1-(4-chloranyl-3-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[1-(4-chloro-3-nitro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[1-(4-chloro-3-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[1-(4-chloro-3-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[1-(4-chloro-3-nitro-phenyl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoic acid Formula: C17H11ClN2O6S MolecularWeight: 406.79704

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H11ClN2O6S/c18-11-6-5-9(7-12(11)20(25)26)19-15(21)8-14(16(19)22)27-13-4-2-1-3-10(13)17(23)24/h1-7,14H,8H2,(H,23,24)