methyl 3-[(4-ethylsulfonylphenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(4-ethylsulfonylphenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-ethylsulfonylphenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[(4-ethylsulfonylanilino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-ethylsulfonylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-esylphenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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