phenyl N-[5-tert-butyl-2-(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)pyrazol-3-yl]carbamate

Systemtic Name: phenyl N-[5-tert-butyl-2-(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)pyrazol-3-yl]carbamate Openeye Name: phenyl N-[5-tert-butyl-2-(6-methyl-1-oxido-pyridin-1-ium-3-yl)pyrazol-3-yl]carbamate CAS Name: N-[5-tert-butyl-2-(6-methyl-1-oxido-3-pyridin-1-iumyl)-3-pyrazolyl]carbamic acid phenyl ester IUPAC Name: phenyl N-[5-tert-butyl-2-(6-methyl-1-oxidopyridin-1-ium-3-yl)pyrazol-3-yl]carbamate Traditional Name: N-[5-tert-butyl-2-(6-methyl-1-oxido-pyridin-1-ium-3-yl)pyrazol-3-yl]carbamic acid phenyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)OC3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=[N+](C=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)OC3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H22N4O3/c1-14-10-11-15(13-23(14)26)24-18(12-17(22-24)20(2,3)4)21-19(25)27-16-8-6-5-7-9-16/h5-13H,1-4H3,(H,21,25)