ethyl 3-[6-(methylamino)-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 3-[6-(methylamino)-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 3-[6-(methylamino)-7-oxo-cyclohepta-1,3,5-trien-1-yl]-1H-pyrazole-5-carboxylate CAS Name: 3-[6-(methylamino)-7-oxo-1-cyclohepta-1,3,5-trienyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[6-(methylamino)-7-oxocyclohepta-1,3,5-trien-1-yl]-1H-pyrazole-5-carboxylate Traditional Name: 3-[7-keto-6-(methylamino)cyclohepta-1,3,5-trien-1-yl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1)C2=CC=CC=C(C2=O)NC

Isomeric SMILES

CCOC(=O)C1=CC(=NN1)C2=CC=CC=C(C2=O)NC

InChI

InChI=1S/C14H15N3O3/c1-3-20-14(19)12-8-11(16-17-12)9-6-4-5-7-10(15-2)13(9)18/h4-8H,3H2,1-2H3,(H,15,18)(H,16,17)