4-[4-[(2E)-2-(5-heptyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]butanoic acid

Systemtic Name: 4-[4-[(2E)-2-(5-heptyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]butanoic acid Openeye Name: 4-[4-[(2E)-2-(5-heptyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-methyl-3-oxo-1H-pyrazol-2-yl]butanoic acid CAS Name: 4-[4-[(2E)-2-(5-heptyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]butanoic acid IUPAC Name: 4-[4-[(2E)-2-(5-heptyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]butanoic acid Traditional Name: 4-[4-[(N'E)-N'-(5-heptyl-6-keto-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-keto-3-methyl-3-pyrazolin-1-yl]butyric acid Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC(=NNC2=C(NN(C2=O)CCCC(=O)O)C)C1=O

Isomeric SMILES

CCCCCCCC1=CC=C/C(=N\NC2=C(NN(C2=O)CCCC(=O)O)C)/C1=O

InChI

InChI=1S/C21H30N4O4/c1-3-4-5-6-7-10-16-11-8-12-17(20(16)28)22-23-19-15(2)24-25(21(19)29)14-9-13-18(26)27/h8,11-12,23-24H,3-7,9-10,13-14H2,1-2H3,(H,26,27)/b22-17+