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

Systemtic Name: 2-[(3R)-1-(4-ethoxy-2-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate Openeye Name: 2-[(3R)-1-(4-ethoxy-2-nitro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoate CAS Name: 2-[[(3R)-1-(4-ethoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoate IUPAC Name: 2-[(3R)-1-(4-ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoate Traditional Name: 2-[[(3R)-1-(4-ethoxy-2-nitro-phenyl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoate Formula: C19H15N2O7S- MolecularWeight: 415.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2C(=O)C[C@H](C2=O)SC3=CC=CC=C3C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O7S/c1-2-28-11-7-8-13(14(9-11)21(26)27)20-17(22)10-16(18(20)23)29-15-6-4-3-5-12(15)19(24)25/h3-9,16H,2,10H2,1H3,(H,24,25)/p-1/t16-/m1/s1