methyl 5-oxidanylidene-1-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-oxidanylidene-1-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-4H-pyrazole-3-carboxylate Openeye Name: methyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]-4H-pyrazole-3-carboxylate CAS Name: 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]-4H-pyrazole-3-carboxylate Traditional Name: 5-keto-1-[4-(2H-tetrazol-5-yl)phenyl]-2-pyrazoline-3-carboxylic acid methyl ester Formula: C12H10N6O3 MolecularWeight: 286.2462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=O)C1)C2=CC=C(C=C2)C3=NNN=N3

Isomeric SMILES

COC(=O)C1=NN(C(=O)C1)C2=CC=C(C=C2)C3=NNN=N3

InChI

InChI=1S/C12H10N6O3/c1-21-12(20)9-6-10(19)18(15-9)8-4-2-7(3-5-8)11-13-16-17-14-11/h2-5H,6H2,1H3,(H,13,14,16,17)