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

Systemtic Name: [4-(prop-2-enylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-(allylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[oxo-(prop-2-enylamino)methyl]phenyl] ester IUPAC Name: [4-(prop-2-enylcarbamoyl)phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-(allylcarbamoyl)phenyl] ester Formula: C17H16N2O6S MolecularWeight: 376.38374

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6S/c1-3-10-18-17(20)13-5-8-15(9-6-13)25-26(23,24)16-11-14(19(21)22)7-4-12(16)2/h3-9,11H,1,10H2,2H3,(H,18,20)