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

Systemtic Name: 2-[(3S)-1-(4-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(3S)-1-(4-nitrophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(3S)-1-(4-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(3S)-1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(3S)-2,5-diketo-1-(4-nitrophenyl)pyrrolidin-3-yl]thio]nicotinate Formula: C16H10N3O6S- MolecularWeight: 372.3321

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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=C(C=CC=N3)C(=O)[O-]

Isomeric SMILES

C1[C@@H](C(=O)N(C1=O)C2=CC=C(C=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)2-1-7-17-14)15(21)18(13)9-3-5-10(6-4-9)19(24)25/h1-7,12H,8H2,(H,22,23)/p-1/t12-/m0/s1