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

Systemtic Name: 2-[(3R)-1-(4-ethoxy-2-nitro-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[(3R)-1-(4-ethoxy-2-nitro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[(3R)-1-(4-ethoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[(3R)-1-(4-ethoxy-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[(3R)-1-(4-ethoxy-2-nitro-phenyl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoic acid Formula: C19H16N2O7S MolecularWeight: 416.40454

Click to see the large picture

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)/t16-/m1/s1