tert-butyl N-ethyl-N-[4-[(Z)-(3-isocyano-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl]carbamate

Systemtic Name: tert-butyl N-ethyl-N-[4-[(Z)-(3-isocyano-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl]carbamate Openeye Name: tert-butyl N-ethyl-N-[4-[(Z)-(3-isocyano-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl]carbamate CAS Name: N-ethyl-N-[4-[(Z)-(3-isocyano-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-ethyl-N-[4-[(Z)-(3-isocyano-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl]carbamate Traditional Name: N-ethyl-N-[4-[(Z)-(3-isocyano-5-keto-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenyl]carbamic acid tert-butyl ester Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)[N+]#[C-])C(=O)OC(C)(C)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)[N+]#[C-])C(=O)OC(C)(C)C

InChI

InChI=1S/C24H24N4O3/c1-6-27(23(30)31-24(2,3)4)18-14-12-17(13-15-18)16-20-21(25-5)26-28(22(20)29)19-10-8-7-9-11-19/h7-16H,6H2,1-4H3/b20-16-