methyl (1S,10bS)-3,3-dicyano-1-methyl-2,10b-dihydropyrrolo[2,1-a]phthalazine-1-carboxylate

Systemtic Name: methyl (1S,10bS)-3,3-dicyano-1-methyl-2,10b-dihydropyrrolo[2,1-a]phthalazine-1-carboxylate Openeye Name: methyl (1S,10bS)-3,3-dicyano-1-methyl-2,10b-dihydropyrrolo[2,1-a]phthalazine-1-carboxylate CAS Name: (1S,10bS)-3,3-dicyano-1-methyl-2,10b-dihydropyrrolo[2,1-a]phthalazine-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,10bS)-3,3-dicyano-1-methyl-2,10b-dihydropyrrolo[2,1-a]phthalazine-1-carboxylate Traditional Name: (1S,10bS)-3,3-dicyano-1-methyl-2,10b-dihydropyrrolo[2,1-a]phthalazine-1-carboxylic acid methyl ester Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(N2C1C3=CC=CC=C3C=N2)(C#N)C#N)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O2/c1-15(14(21)22-2)8-16(9-17,10-18)20-13(15)12-6-4-3-5-11(12)7-19-20/h3-7,13H,8H2,1-2H3/t13-,15-/m0/s1