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

Systemtic Name: 2-[(3R)-1-(4-ethoxy-2-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(3R)-1-(4-ethoxy-2-nitro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(3R)-1-(4-ethoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(3R)-1-(4-ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(3R)-1-(4-ethoxy-2-nitro-phenyl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinate Formula: C18H14N3O7S- MolecularWeight: 416.38466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=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/C18H15N3O7S/c1-2-28-10-5-6-12(13(8-10)21(26)27)20-15(22)9-14(17(20)23)29-16-11(18(24)25)4-3-7-19-16/h3-8,14H,2,9H2,1H3,(H,24,25)/p-1/t14-/m1/s1