2-[(3R)-1-(4-methoxy-2-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate

Systemtic Name: 2-[(3R)-1-(4-methoxy-2-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate Openeye Name: 2-[(3R)-1-(4-methoxy-2-nitro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoate CAS Name: 2-[[(3R)-1-(4-methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoate IUPAC Name: 2-[(3R)-1-(4-methoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoate Traditional Name: 2-[[(3R)-2,5-diketo-1-(4-methoxy-2-nitro-phenyl)pyrrolidin-3-yl]thio]benzoate Formula: C18H13N2O7S- MolecularWeight: 401.37002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=O)C[C@H](C2=O)SC3=CC=CC=C3C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O7S/c1-27-10-6-7-12(13(8-10)20(25)26)19-16(21)9-15(17(19)22)28-14-5-3-2-4-11(14)18(23)24/h2-8,15H,9H2,1H3,(H,23,24)/p-1/t15-/m1/s1