methyl 2-methoxy-5-[[(4-methylsulfonyl-2-nitro-phenyl)amino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[(4-methylsulfonyl-2-nitro-phenyl)amino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[(4-methylsulfonyl-2-nitro-anilino)methyl]benzoate CAS Name: 2-methoxy-5-[(4-methylsulfonyl-2-nitroanilino)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[(4-methylsulfonyl-2-nitroanilino)methyl]benzoate Traditional Name: 5-[(4-mesyl-2-nitro-anilino)methyl]-2-methoxy-benzoic acid methyl ester Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H18N2O7S/c1-25-16-7-4-11(8-13(16)17(20)26-2)10-18-14-6-5-12(27(3,23)24)9-15(14)19(21)22/h4-9,18H,10H2,1-3H3