methyl 4-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]butanoate

Systemtic Name: methyl 4-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]butanoate Openeye Name: methyl 4-[5-(2-chloro-4-methylsulfonyl-phenoxy)-2-nitro-anilino]butanoate CAS Name: 4-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]butanoic acid methyl ester IUPAC Name: methyl 4-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]butanoate Traditional Name: 4-[5-(2-chloro-4-mesyl-phenoxy)-2-nitro-anilino]butyric acid methyl ester Formula: C18H19ClN2O7S MolecularWeight: 442.87066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN2O7S/c1-27-18(22)4-3-9-20-15-10-12(5-7-16(15)21(23)24)28-17-8-6-13(11-14(17)19)29(2,25)26/h5-8,10-11,20H,3-4,9H2,1-2H3