3-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]-6-methyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[4-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-pyrazol-1-yl]-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1-pyrazolyl]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[4-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrazol-1-yl]-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[4-(3-keto-3-methoxy-propyl)-3,5-dimethyl-pyrazol-1-yl]-6-methyl-1,2,4-triazin-5-olate Formula: C13H16N5O3- MolecularWeight: 290.29784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)N2C(=C(C(=N2)C)CCC(=O)OC)C)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)N2C(=C(C(=N2)C)CCC(=O)OC)C)[O-]

InChI

InChI=1S/C13H17N5O3/c1-7-10(5-6-11(19)21-4)9(3)18(17-7)13-14-12(20)8(2)15-16-13/h5-6H2,1-4H3,(H,14,16,20)/p-1