5-(5-methoxy-1,3-dimethyl-pyrazol-4-yl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(5-methoxy-1,3-dimethyl-pyrazol-4-yl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxybutylidene)-5-(5-methoxy-1,3-dimethyl-pyrazol-4-yl)cyclohexane-1,3-dione CAS Name: 2-(1-hydroxybutylidene)-5-(5-methoxy-1,3-dimethyl-4-pyrazolyl)cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxybutylidene)-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxybutylidene)-5-(5-methoxy-1,3-dimethyl-pyrazol-4-yl)cyclohexane-1,3-quinone Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2=C(N(N=C2C)C)OC)O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2=C(N(N=C2C)C)OC)O

InChI

InChI=1S/C16H22N2O4/c1-5-6-11(19)15-12(20)7-10(8-13(15)21)14-9(2)17-18(3)16(14)22-4/h10,19H,5-8H2,1-4H3