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

Systemtic Name: tert-butyl N-[(Z)-[3-methyl-5-oxidanylidene-1-(phenylcarbamoyl)pyrazol-4-ylidene]amino]carbamate Openeye Name: tert-butyl N-[(Z)-[3-methyl-5-oxo-1-(phenylcarbamoyl)pyrazol-4-ylidene]amino]carbamate CAS Name: N-[(Z)-[1-[anilino(oxo)methyl]-3-methyl-5-oxo-4-pyrazolylidene]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(Z)-[3-methyl-5-oxo-1-(phenylcarbamoyl)pyrazol-4-ylidene]amino]carbamate Traditional Name: N-[(Z)-[5-keto-3-methyl-1-(phenylcarbamoyl)-2-pyrazolin-4-ylidene]amino]carbamic acid tert-butyl ester Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC(=O)OC(C)(C)C)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC\1=NN(C(=O)/C1=N\NC(=O)OC(C)(C)C)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C16H19N5O4/c1-10-12(18-19-15(24)25-16(2,3)4)13(22)21(20-10)14(23)17-11-8-6-5-7-9-11/h5-9H,1-4H3,(H,17,23)(H,19,24)/b18-12-