[4-(2-methylpropylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-(2-methylpropylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-(isobutylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[(2-methylpropylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(2-methylpropylcarbamoyl)phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-(isobutylcarbamoyl)phenyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC(C)C

InChI

InChI=1S/C18H20N2O6S/c1-12(2)11-19-18(21)14-5-8-16(9-6-14)26-27(24,25)17-10-15(20(22)23)7-4-13(17)3/h4-10,12H,11H2,1-3H3,(H,19,21)