methyl 2-[(2,4-dinitrophenyl)amino]-3-(4-methylphenyl)sulfonyloxy-propanoate

Systemtic Name: methyl 2-[(2,4-dinitrophenyl)amino]-3-(4-methylphenyl)sulfonyloxy-propanoate Openeye Name: methyl 2-(2,4-dinitroanilino)-3-(p-tolylsulfonyloxy)propanoate CAS Name: 2-(2,4-dinitroanilino)-3-(4-methylphenyl)sulfonyloxypropanoic acid methyl ester IUPAC Name: methyl 2-(2,4-dinitroanilino)-3-(4-methylphenyl)sulfonyloxypropanoate Traditional Name: 2-(2,4-dinitroanilino)-3-tosyloxy-propionic acid methyl ester Formula: C17H17N3O9S MolecularWeight: 439.39658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(=O)OC)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(=O)OC)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O9S/c1-11-3-6-13(7-4-11)30(26,27)29-10-15(17(21)28-2)18-14-8-5-12(19(22)23)9-16(14)20(24)25/h3-9,15,18H,10H2,1-2H3