4-[(E)-(3,5-dimethylpyrrol-2-ylidene)methyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(E)-(3,5-dimethylpyrrol-2-ylidene)methyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-(3,5-dimethylpyrrol-2-ylidene)methyl]-5-isopropoxy-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-(3,5-dimethyl-2-pyrrolylidene)methyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-(3,5-dimethylpyrrol-2-ylidene)methyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-(3,5-dimethylpyrrol-2-ylidene)methyl]-5-isopropoxy-3-pyrazolin-3-one Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC1=CC2=C(NNC2=O)OC(C)C)C

Isomeric SMILES

CC\1=CC(=N/C1=C/C2=C(NNC2=O)OC(C)C)C

InChI

InChI=1S/C13H17N3O2/c1-7(2)18-13-10(12(17)15-16-13)6-11-8(3)5-9(4)14-11/h5-7H,1-4H3,(H2,15,16,17)/b11-6+