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

Systemtic Name: 2-[(3S)-1-(4-chloranyl-2-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(3S)-1-(4-chloro-2-nitro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(3S)-1-(4-chloro-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(3S)-1-(4-chloro-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(3S)-1-(4-chloro-2-nitro-phenyl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinate Formula: C16H9ClN3O6S- MolecularWeight: 406.77716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClN3O6S/c17-8-3-4-10(11(6-8)20(25)26)19-13(21)7-12(15(19)22)27-14-9(16(23)24)2-1-5-18-14/h1-6,12H,7H2,(H,23,24)/p-1/t12-/m0/s1