[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCCNC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NCCNC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C19H21N3O5S/c1-14(28-17-5-3-2-4-6-17)19(24)27-13-18(23)21-12-11-20-15-7-9-16(10-8-15)22(25)26/h2-10,14,20H,11-13H2,1H3,(H,21,23)/t14-/m1/s1