ethyl 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)diazenyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)diazenyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)azo-3-oxo-butanoate CAS Name: 2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)azo]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-3-oxobutanoate Traditional Name: 3-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)azo]butyric acid ethyl ester Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4/c1-5-25-17(24)15(12(3)22)19-18-14-11(2)20(4)21(16(14)23)13-9-7-6-8-10-13/h6-10,15H,5H2,1-4H3