cyanomethyl (3aS)-4-ethyl-1,5-bis(oxidanylidene)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

Systemtic Name: cyanomethyl (3aS)-4-ethyl-1,5-bis(oxidanylidene)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate Openeye Name: cyanomethyl (3aS)-4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate CAS Name: (3aS)-4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl (3aS)-4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate Traditional Name: (3aS)-4-ethyl-1,5-diketo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid cyanomethyl ester Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N3C1(CCC3=O)C(=O)OCC#N

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N3[C@@]1(CCC3=O)C(=O)OCC#N

InChI

InChI=1S/C16H15N3O4/c1-2-18-14(21)11-5-3-4-6-12(11)19-13(20)7-8-16(18,19)15(22)23-10-9-17/h3-6H,2,7-8,10H2,1H3/t16-/m0/s1