methyl 3-[[5-(2-chloranyl-4-propan-2-ylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate

Systemtic Name: methyl 3-[[5-(2-chloranyl-4-propan-2-ylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate Openeye Name: methyl 3-[5-(2-chloro-4-isopropylsulfonyl-phenoxy)-2-nitro-anilino]propanoate CAS Name: 3-[5-(2-chloro-4-propan-2-ylsulfonylphenoxy)-2-nitroanilino]propanoic acid methyl ester IUPAC Name: methyl 3-[5-(2-chloro-4-propan-2-ylsulfonylphenoxy)-2-nitroanilino]propanoate Traditional Name: 3-[5-(2-chloro-4-isopropylsulfonyl-phenoxy)-2-nitro-anilino]propionic acid methyl ester Formula: C19H21ClN2O7S MolecularWeight: 456.89724

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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-])NCCC(=O)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O7S/c1-12(2)30(26,27)14-5-7-18(15(20)11-14)29-13-4-6-17(22(24)25)16(10-13)21-9-8-19(23)28-3/h4-7,10-12,21H,8-9H2,1-3H3