ethyl 3-[(4-methylsulfonylphenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(4-methylsulfonylphenyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(4-methylsulfonylphenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[(4-methylsulfonylanilino)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-methylsulfonylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-mesylphenyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O7S/c1-3-26-17(21)12-8-11(9-14(10-12)19(22)23)16(20)18-13-4-6-15(7-5-13)27(2,24)25/h4-10H,3H2,1-2H3,(H,18,20)