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

Systemtic Name: methyl 2-[(2,4-dinitrophenyl)amino]-3-(4-methylphenyl)sulfonyloxy-butanoate Openeye Name: methyl 2-(2,4-dinitroanilino)-3-(p-tolylsulfonyloxy)butanoate CAS Name: 2-(2,4-dinitroanilino)-3-(4-methylphenyl)sulfonyloxybutanoic acid methyl ester IUPAC Name: methyl 2-(2,4-dinitroanilino)-3-(4-methylphenyl)sulfonyloxybutanoate Traditional Name: 2-(2,4-dinitroanilino)-3-tosyloxy-butyric acid methyl ester Formula: C18H19N3O9S MolecularWeight: 453.42316

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H19N3O9S/c1-11-4-7-14(8-5-11)31(27,28)30-12(2)17(18(22)29-3)19-15-9-6-13(20(23)24)10-16(15)21(25)26/h4-10,12,17,19H,1-3H3