[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(R)-ethylsulfinyl]benzoate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(R)-ethylsulfinyl]benzoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 2-[(R)-ethylsulfinyl]benzoate CAS Name: 2-[(R)-ethylsulfinyl]benzoic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-[(R)-ethylsulfinyl]benzoate Traditional Name: 2-[(R)-ethylsulfinyl]benzoic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C18H18N2O7S MolecularWeight: 406.40972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC[S@@](=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H18N2O7S/c1-3-28(25)16-7-5-4-6-13(16)18(22)27-11-17(21)19-14-10-12(20(23)24)8-9-15(14)26-2/h4-10H,3,11H2,1-2H3,(H,19,21)/t28-/m1/s1