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

Systemtic Name: 3-[(3Z)-3-(6-oxidanylidene-4-pentoxy-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]propanoic acid Openeye Name: 3-[(3Z)-3-(6-oxo-4-pentoxy-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]propanoic acid CAS Name: 3-[(3Z)-3-(6-oxo-4-pentoxy-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-4-yl]propanoic acid IUPAC Name: 3-[(3Z)-3-(6-oxo-4-pentoxycyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]propanoic acid Traditional Name: 3-[(3Z)-3-(4-amoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-3-pyrazolin-4-yl]propionic acid Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-2-3-4-9-23-13-6-7-14(15(20)10-13)17-12(11-18-19-17)5-8-16(21)22/h6-7,10-11,18-19H,2-5,8-9H2,1H3,(H,21,22)/b17-14-