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

Systemtic Name: methyl 4-[[5-(2-chloranyl-4-propan-2-ylsulfonyl-phenoxy)-2-nitro-phenyl]amino]butanoate Openeye Name: methyl 4-[5-(2-chloro-4-isopropylsulfonyl-phenoxy)-2-nitro-anilino]butanoate CAS Name: 4-[5-(2-chloro-4-propan-2-ylsulfonylphenoxy)-2-nitroanilino]butanoic acid methyl ester IUPAC Name: methyl 4-[5-(2-chloro-4-propan-2-ylsulfonylphenoxy)-2-nitroanilino]butanoate Traditional Name: 4-[5-(2-chloro-4-isopropylsulfonyl-phenoxy)-2-nitro-anilino]butyric acid methyl ester Formula: C20H23ClN2O7S MolecularWeight: 470.92382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O7S/c1-13(2)31(27,28)15-7-9-19(16(21)12-15)30-14-6-8-18(23(25)26)17(11-14)22-10-4-5-20(24)29-3/h6-9,11-13,22H,4-5,10H2,1-3H3