2-[(3R)-1-(3-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[(3R)-1-(3-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[(3R)-1-(3-nitrophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[(3R)-1-(3-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(3R)-1-(3-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[(3R)-2,5-diketo-1-(3-nitrophenyl)pyrrolidin-3-yl]thio]nicotinic acid Formula: C16H11N3O6S MolecularWeight: 373.34004

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC(=CC=C2)[N+](=O)[O-])SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1[C@H](C(=O)N(C1=O)C2=CC(=CC=C2)[N+](=O)[O-])SC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C16H11N3O6S/c20-13-8-12(26-14-11(16(22)23)5-2-6-17-14)15(21)18(13)9-3-1-4-10(7-9)19(24)25/h1-7,12H,8H2,(H,22,23)/t12-/m1/s1