dimethyl 5,5-dicyano-4-methyl-4aH-pyrrolo[1,2-c][1,2,3]triazine-6,7-dicarboxylate

Systemtic Name: dimethyl 5,5-dicyano-4-methyl-4aH-pyrrolo[1,2-c][1,2,3]triazine-6,7-dicarboxylate Openeye Name: dimethyl 5,5-dicyano-4-methyl-4aH-pyrrolo[1,2-c]triazine-6,7-dicarboxylate CAS Name: 5,5-dicyano-4-methyl-4aH-pyrrolo[1,2-c]triazine-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5,5-dicyano-4-methyl-4aH-pyrrolo[1,2-c]triazine-6,7-dicarboxylate Traditional Name: 5,5-dicyano-4-methyl-4aH-pyrrolo[1,2-c]triazine-6,7-dicarboxylic acid dimethyl ester Formula: C13H11N5O4 MolecularWeight: 301.25754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=NN2C1C(C(=C2C(=O)OC)C(=O)OC)(C#N)C#N

Isomeric SMILES

CC1=CN=NN2C1C(C(=C2C(=O)OC)C(=O)OC)(C#N)C#N

InChI

InChI=1S/C13H11N5O4/c1-7-4-16-17-18-9(12(20)22-3)8(11(19)21-2)13(5-14,6-15)10(7)18/h4,10H,1-3H3