2-ethyl-3-oxidanylidene-butanoate; N-[3-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)phenyl]ethanamide

Systemtic Name: 2-ethyl-3-oxidanylidene-butanoate; N-[3-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)phenyl]ethanamide Openeye Name: 2-ethyl-3-oxo-butanoate; N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide CAS Name: 2-ethyl-3-oxobutanoate; N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide IUPAC Name: 2-ethyl-3-oxobutanoate; N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide Traditional Name: 2-ethyl-3-keto-butyrate; N-[3-(5-keto-3-methyl-2-pyrazolin-1-yl)phenyl]acetamide Formula: C18H22N3O5- MolecularWeight: 360.38438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C)C(=O)[O-].CC1=NN(C(=O)C1)C2=CC(=CC=C2)NC(=O)C

Isomeric SMILES

CCC(C(=O)C)C(=O)[O-].CC1=NN(C(=O)C1)C2=CC(=CC=C2)NC(=O)C

InChI

InChI=1S/C12H13N3O2.C6H10O3/c1-8-6-12(17)15(14-8)11-5-3-4-10(7-11)13-9(2)16;1-3-5(4(2)7)6(8)9/h3-5,7H,6H2,1-2H3,(H,13,16);5H,3H2,1-2H3,(H,8,9)/p-1