octyl 4-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]benzoate

Systemtic Name: octyl 4-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]benzoate Openeye Name: octyl 4-[(2E)-2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]benzoate CAS Name: 4-[(2E)-2-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]benzoic acid octyl ester IUPAC Name: octyl 4-[(2E)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]benzoate Traditional Name: 4-[(N'E)-N'-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]benzoic acid octyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)NN=C2C(=NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)N/N=C/2\C(=NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C25H30N4O3/c1-3-4-5-6-7-11-18-32-25(31)20-14-16-21(17-15-20)26-27-23-19(2)28-29(24(23)30)22-12-9-8-10-13-22/h8-10,12-17,26H,3-7,11,18H2,1-2H3/b27-23+