7-methyl-4-(2-oxidanylidenepropyl)-8-phenyl-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid

Systemtic Name: 7-methyl-4-(2-oxidanylidenepropyl)-8-phenyl-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid Openeye Name: 4-acetonyl-7-methyl-8-phenyl-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid CAS Name: 7-methyl-4-(2-oxopropyl)-8-phenyl-3-pyrazolo[5,1-c][1,2,4]triazinecarboxylic acid IUPAC Name: 7-methyl-4-(2-oxopropyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid Traditional Name: 4-acetonyl-7-methyl-8-phenyl-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C(N=NC2=C1C3=CC=CC=C3)C(=O)O)CC(=O)C

Isomeric SMILES

CC1=NN2C(=C(N=NC2=C1C3=CC=CC=C3)C(=O)O)CC(=O)C

InChI

InChI=1S/C16H14N4O3/c1-9(21)8-12-14(16(22)23)17-18-15-13(10(2)19-20(12)15)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,22,23)