[3-nitro-4-(1,5,5-trimethylpiperidin-3-yl)carbonyl-phenyl] methanesulfonate

Systemtic Name: [3-nitro-4-(1,5,5-trimethylpiperidin-3-yl)carbonyl-phenyl] methanesulfonate Openeye Name: [3-nitro-4-(1,5,5-trimethylpiperidine-3-carbonyl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-nitro-4-[oxo-(1,5,5-trimethyl-3-piperidinyl)methyl]phenyl] ester IUPAC Name: [3-nitro-4-(1,5,5-trimethylpiperidine-3-carbonyl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-nitro-4-(1,5,5-trimethylnipecotoyl)phenyl] ester Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6S/c1-16(2)8-11(9-17(3)10-16)15(19)13-6-5-12(24-25(4,22)23)7-14(13)18(20)21/h5-7,11H,8-10H2,1-4H3