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

Systemtic Name: [3-[[2-methoxyethyl-[3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[2-methoxyethyl-[3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-methoxyethyl-[3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-[3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-methoxyethyl-[3-(4-nitrophenyl)acryloyl]amino]methyl]phenyl] ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S/c1-28-13-12-21(15-17-4-3-5-19(14-17)29-30(2,26)27)20(23)11-8-16-6-9-18(10-7-16)22(24)25/h3-11,14H,12-13,15H2,1-2H3