2-[(3S)-1-(2-methyl-5-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate

Systemtic Name: 2-[(3S)-1-(2-methyl-5-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate Openeye Name: 2-[(3S)-1-(2-methyl-5-nitro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoate CAS Name: 2-[[(3S)-1-(2-methyl-5-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoate IUPAC Name: 2-[(3S)-1-(2-methyl-5-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoate Traditional Name: 2-[[(3S)-2,5-diketo-1-(2-methyl-5-nitro-phenyl)pyrrolidin-3-yl]thio]benzoate Formula: C18H13N2O6S- MolecularWeight: 385.37062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)C[C@@H](C2=O)SC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C18H14N2O6S/c1-10-6-7-11(20(25)26)8-13(10)19-16(21)9-15(17(19)22)27-14-5-3-2-4-12(14)18(23)24/h2-8,15H,9H2,1H3,(H,23,24)/p-1/t15-/m0/s1