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

Systemtic Name: 3-[(3Z)-3-(6-oxidanylidene-4,5-dipentoxy-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]propanoic acid Openeye Name: 3-[(3Z)-3-(6-oxo-4,5-dipentoxy-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]propanoic acid CAS Name: 3-[(3Z)-3-(6-oxo-4,5-dipentoxy-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-4-yl]propanoic acid IUPAC Name: 3-[(3Z)-3-(6-oxo-4,5-dipentoxycyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]propanoic acid Traditional Name: 3-[(3Z)-3-(4,5-diamoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-3-pyrazolin-4-yl]propionic acid Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O5/c1-3-5-7-13-28-18-11-10-17(21(27)22(18)29-14-8-6-4-2)20-16(15-23-24-20)9-12-19(25)26/h10-11,15,23-24H,3-9,12-14H2,1-2H3,(H,25,26)/b20-17-