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

Systemtic Name: ethyl 2-[[4-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]diazenyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]phenyl]azo-3-oxo-butanoate CAS Name: 2-[4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]phenyl]azo-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]diazenyl]-3-oxobutanoate Traditional Name: 3-keto-2-[4-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)azo]phenyl]azo-butyric acid ethyl ester Formula: C22H22N6O4 MolecularWeight: 434.44788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)N=NC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C(C(=O)C)N=NC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H22N6O4/c1-4-32-22(31)20(15(3)29)26-24-17-12-10-16(11-13-17)23-25-19-14(2)27-28(21(19)30)18-8-6-5-7-9-18/h5-13,19-20H,4H2,1-3H3