ethyl (2E)-2-cyano-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)hydrazinylidene]ethanoate

Systemtic Name: ethyl (2E)-2-cyano-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)hydrazinylidene]ethanoate Openeye Name: ethyl (2E)-2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)hydrazono]acetate CAS Name: (2E)-2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)hydrazinylidene]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]acetate Traditional Name: (2E)-2-cyano-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)hydrazono]acetic acid ethyl ester Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NNC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C#N

Isomeric SMILES

CCOC(=O)/C(=N/NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)/C#N

InChI

InChI=1S/C16H17N5O3/c1-4-24-16(23)13(10-17)18-19-14-11(2)20(3)21(15(14)22)12-8-6-5-7-9-12/h5-9,19H,4H2,1-3H3/b18-13+