(6Z)-6-[4-(4-tert-butylphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[4-(4-tert-butylphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[4-(4-tert-butylphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[4-(4-tert-butylphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-ethoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[4-(4-tert-butylphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-ethoxycyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[4-(4-tert-butylphenoxy)-3-pyrazolin-3-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=O)C(=C2C(=CNN2)OC3=CC=C(C=C3)C(C)(C)C)C=C1

Isomeric SMILES

CCOC1=CC(=O)/C(=C\2/C(=CNN2)OC3=CC=C(C=C3)C(C)(C)C)/C=C1

InChI

InChI=1S/C21H24N2O3/c1-5-25-16-10-11-17(18(24)12-16)20-19(13-22-23-20)26-15-8-6-14(7-9-15)21(2,3)4/h6-13,22-23H,5H2,1-4H3/b20-17-