dimethyl 8,8-dicyano-3-phenyl-pyrazolo[1,2-a][1,2,3]triazine-6,7-dicarboxylate

Systemtic Name: dimethyl 8,8-dicyano-3-phenyl-pyrazolo[1,2-a][1,2,3]triazine-6,7-dicarboxylate Openeye Name: dimethyl 8,8-dicyano-3-phenyl-pyrazolo[1,2-a]triazine-6,7-dicarboxylate CAS Name: 8,8-dicyano-3-phenylpyrazolo[1,2-a]triazine-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 8,8-dicyano-3-phenylpyrazolo[1,2-a]triazine-6,7-dicarboxylate Traditional Name: 8,8-dicyano-3-phenyl-pyrazolo[1,2-a]triazine-6,7-dicarboxylic acid dimethyl ester Formula: C18H13N5O4 MolecularWeight: 363.32692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N2C=C(C=NN2C1(C#N)C#N)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N2C=C(C=NN2C1(C#N)C#N)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H13N5O4/c1-26-16(24)14-15(17(25)27-2)22-9-13(12-6-4-3-5-7-12)8-21-23(22)18(14,10-19)11-20/h3-9H,1-2H3