2-[(3S)-1-(4-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(3S)-1-(4-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[(3S)-1-(4-nitrophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[(3S)-1-(4-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[(3S)-1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[(3S)-2,5-diketo-1-(4-nitrophenyl)pyrrolidin-3-yl]thio]benzoic acid Formula: C17H12N2O6S MolecularWeight: 372.35198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O6S/c20-15-9-14(26-13-4-2-1-3-12(13)17(22)23)16(21)18(15)10-5-7-11(8-6-10)19(24)25/h1-8,14H,9H2,(H,22,23)/t14-/m0/s1