[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-nitrophenyl)thio]propanoic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-nitrophenyl)thio]propionic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=C(C=C1)N(C)C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=CC=C(C=C1)N(C)C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-13(28-17-10-8-16(9-11-17)22(25)26)19(24)27-12-18(23)20-14-4-6-15(7-5-14)21(2)3/h4-11,13H,12H2,1-3H3,(H,20,23)/t13-/m1/s1