tert-butyl N-[[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]amino]carbamate

Systemtic Name: tert-butyl N-[[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]amino]carbamate Openeye Name: tert-butyl N-[[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]amino]carbamate CAS Name: N-[[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]carbamate Traditional Name: N-[[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]amino]carbamic acid tert-butyl ester Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNNC(=O)OC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NNC(=O)OC(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C16H20N4O3/c1-11-13(10-17-18-15(22)23-16(2,3)4)14(21)20(19-11)12-8-6-5-7-9-12/h5-10,17H,1-4H3,(H,18,22)/b13-10+