cyanomethyl (3aS)-4-oxidanylidene-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate

Systemtic Name: cyanomethyl (3aS)-4-oxidanylidene-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate Openeye Name: cyanomethyl (3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate CAS Name: (3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl (3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate Traditional Name: (3aS)-4-keto-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid cyanomethyl ester Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)NC3=C(N2C1)C=CC(=C3)C(=O)OCC#N

Isomeric SMILES

C1C[C@H]2C(=O)NC3=C(N2C1)C=CC(=C3)C(=O)OCC#N

InChI

InChI=1S/C14H13N3O3/c15-5-7-20-14(19)9-3-4-11-10(8-9)16-13(18)12-2-1-6-17(11)12/h3-4,8,12H,1-2,6-7H2,(H,16,18)/t12-/m0/s1