[1-[(E)-C-methyl-N-[(4-nitrophenyl)methoxycarbonyl]carbonimidoyl]pyrrolidin-3-yl] methanesulfonate

Systemtic Name: [1-[(E)-C-methyl-N-[(4-nitrophenyl)methoxycarbonyl]carbonimidoyl]pyrrolidin-3-yl] methanesulfonate Openeye Name: [1-[(E)-C-methyl-N-[(4-nitrophenyl)methoxycarbonyl]carbonimidoyl]pyrrolidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [1-[(1E)-1-[(4-nitrophenyl)methoxy-oxomethyl]iminoethyl]-3-pyrrolidinyl] ester IUPAC Name: [1-[(E)-C-methyl-N-[(4-nitrophenyl)methoxycarbonyl]carbonimidoyl]pyrrolidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-[(E)-C-methyl-N-(4-nitrobenzyl)oxycarbonyl-carbonimidoyl]pyrrolidin-3-yl] ester Formula: C15H19N3O7S MolecularWeight: 385.39226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2CCC(C2)OS(=O)(=O)C

Isomeric SMILES

C/C(=N\C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])/N2CCC(C2)OS(=O)(=O)C

InChI

InChI=1S/C15H19N3O7S/c1-11(17-8-7-14(9-17)25-26(2,22)23)16-15(19)24-10-12-3-5-13(6-4-12)18(20)21/h3-6,14H,7-10H2,1-2H3/b16-11+