[3-[[2-methylpropyl-[3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[2-methylpropyl-[3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[isobutyl-[3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-methylpropyl-[3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-[3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[isobutyl-[3-(4-nitrophenyl)acryloyl]amino]methyl]phenyl] ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6S/c1-16(2)14-22(15-18-5-4-6-20(13-18)29-30(3,27)28)21(24)12-9-17-7-10-19(11-8-17)23(25)26/h4-13,16H,14-15H2,1-3H3