[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C19H19BrN2O6S MolecularWeight: 483.33296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C19H19BrN2O6S/c1-3-27-14-5-6-15(16(9-14)22(25)26)21-18(23)10-28-19(24)11-29-17-7-4-13(20)8-12(17)2/h4-9H,3,10-11H2,1-2H3,(H,21,23)