3-[(3Z)-3-(5-oxidanyl-6-oxidanylidene-4-pentoxy-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]propanoic acid

Systemtic Name: 3-[(3Z)-3-(5-oxidanyl-6-oxidanylidene-4-pentoxy-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]propanoic acid Openeye Name: 3-[(3Z)-3-(5-hydroxy-6-oxo-4-pentoxy-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]propanoic acid CAS Name: 3-[(3Z)-3-(5-hydroxy-6-oxo-4-pentoxy-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-4-yl]propanoic acid IUPAC Name: 3-[(3Z)-3-(5-hydroxy-6-oxo-4-pentoxycyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]propanoic acid Traditional Name: 3-[(3Z)-3-(4-amoxy-5-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-3-pyrazolin-4-yl]propionic acid Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=O)C(=C2C(=CNN2)CCC(=O)O)C=C1)O

Isomeric SMILES

CCCCCOC1=C(C(=O)/C(=C\2/C(=CNN2)CCC(=O)O)/C=C1)O

InChI

InChI=1S/C17H22N2O5/c1-2-3-4-9-24-13-7-6-12(16(22)17(13)23)15-11(10-18-19-15)5-8-14(20)21/h6-7,10,18-19,23H,2-5,8-9H2,1H3,(H,20,21)/b15-12-