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

Systemtic Name: 2-[(3R)-1-(4-methyl-2-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(3R)-1-(4-methyl-2-nitro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(3R)-1-(4-methyl-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(3R)-1-(4-methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(3R)-2,5-diketo-1-(4-methyl-2-nitro-phenyl)pyrrolidin-3-yl]thio]nicotinate Formula: C17H12N3O6S- MolecularWeight: 386.35868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C[C@H](C2=O)SC3=C(C=CC=N3)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6S/c1-9-4-5-11(12(7-9)20(25)26)19-14(21)8-13(16(19)22)27-15-10(17(23)24)3-2-6-18-15/h2-7,13H,8H2,1H3,(H,23,24)/p-1/t13-/m1/s1