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

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-27-16-5-3-2-4-15(16)18(23)26-12-17(22)20-11-10-19-13-6-8-14(9-7-13)21(24)25/h2-9,19H,10-12H2,1H3,(H,20,22)