methyl 3-[(5-ethylsulfonyl-2-oxidanyl-phenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(5-ethylsulfonyl-2-oxidanyl-phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(5-ethylsulfonyl-2-hydroxy-phenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[(5-ethylsulfonyl-2-hydroxyanilino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(5-ethylsulfonyl-2-hydroxyphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5-esyl-2-hydroxy-phenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H16N2O8S MolecularWeight: 408.38254

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H16N2O8S/c1-3-28(25,26)13-4-5-15(20)14(9-13)18-16(21)10-6-11(17(22)27-2)8-12(7-10)19(23)24/h4-9,20H,3H2,1-2H3,(H,18,21)