cyanomethyl (3aR)-1,5-bis(oxidanylidene)-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

Systemtic Name: cyanomethyl (3aR)-1,5-bis(oxidanylidene)-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate Openeye Name: cyanomethyl (3aR)-4-isopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate CAS Name: (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate Traditional Name: (3aR)-4-isopropyl-1,5-diketo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid cyanomethyl ester Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N3C1(CCC3=O)C(=O)OCC#N

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N3[C@]1(CCC3=O)C(=O)OCC#N

InChI

InChI=1S/C17H17N3O4/c1-11(2)19-15(22)12-5-3-4-6-13(12)20-14(21)7-8-17(19,20)16(23)24-10-9-18/h3-6,11H,7-8,10H2,1-2H3/t17-/m1/s1