methyl (1S,10bR)-3,3-dicyano-2,10b-dihydro-1H-pyrrolo[2,1-a]phthalazine-1-carboxylate

Systemtic Name: methyl (1S,10bR)-3,3-dicyano-2,10b-dihydro-1H-pyrrolo[2,1-a]phthalazine-1-carboxylate Openeye Name: methyl (1S,10bR)-3,3-dicyano-2,10b-dihydro-1H-pyrrolo[2,1-a]phthalazine-1-carboxylate CAS Name: (1S,10bR)-3,3-dicyano-2,10b-dihydro-1H-pyrrolo[2,1-a]phthalazine-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,10bR)-3,3-dicyano-2,10b-dihydro-1H-pyrrolo[2,1-a]phthalazine-1-carboxylate Traditional Name: (1S,10bR)-3,3-dicyano-2,10b-dihydro-1H-pyrrolo[2,1-a]phthalazine-1-carboxylic acid methyl ester Formula: C15H12N4O2 MolecularWeight: 280.28138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(N2C1C3=CC=CC=C3C=N2)(C#N)C#N

Isomeric SMILES

COC(=O)[C@H]1CC(N2[C@H]1C3=CC=CC=C3C=N2)(C#N)C#N

InChI

InChI=1S/C15H12N4O2/c1-21-14(20)12-6-15(8-16,9-17)19-13(12)11-5-3-2-4-10(11)7-18-19/h2-5,7,12-13H,6H2,1H3/t12-,13-/m0/s1