methyl 4-[[4-(2-methyl-5-nitro-phenyl)sulfonyloxyphenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[4-(2-methyl-5-nitro-phenyl)sulfonyloxyphenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[4-(2-methyl-5-nitro-phenyl)sulfonyloxybenzoyl]amino]butanoate CAS Name: 4-[[[4-(2-methyl-5-nitrophenyl)sulfonyloxyphenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-methyl-5-nitrophenyl)sulfonyloxybenzoyl]amino]butanoate Traditional Name: 4-[[4-(2-methyl-5-nitro-phenyl)sulfonyloxybenzoyl]amino]butyric acid methyl ester Formula: C19H20N2O8S MolecularWeight: 436.4357

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCCCC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCCCC(=O)OC

InChI

InChI=1S/C19H20N2O8S/c1-13-5-8-15(21(24)25)12-17(13)30(26,27)29-16-9-6-14(7-10-16)19(23)20-11-3-4-18(22)28-2/h5-10,12H,3-4,11H2,1-2H3,(H,20,23)