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

Systemtic Name: [4-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]phenyl] pentanoate Openeye Name: [4-[(2E)-2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]phenyl] pentanoate CAS Name: pentanoic acid [4-[(2E)-2-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]phenyl] ester IUPAC Name: [4-[(2E)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]phenyl] pentanoate Traditional Name: valeric acid [4-[(N'E)-N'-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]phenyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC=C(C=C1)NN=C2C(=NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCCC(=O)OC1=CC=C(C=C1)N/N=C/2\C(=NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N4O3/c1-3-4-10-19(26)28-18-13-11-16(12-14-18)22-23-20-15(2)24-25(21(20)27)17-8-6-5-7-9-17/h5-9,11-14,22H,3-4,10H2,1-2H3/b23-20+