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

Systemtic Name: cyanomethyl (3aR)-4-butyl-1,5-bis(oxidanylidene)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate Openeye Name: cyanomethyl (3aR)-4-butyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate CAS Name: (3aR)-4-butyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl (3aR)-4-butyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate Traditional Name: (3aR)-4-butyl-1,5-diketo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid cyanomethyl ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N3C1(CCC3=O)C(=O)OCC#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N3[C@]1(CCC3=O)C(=O)OCC#N

InChI

InChI=1S/C18H19N3O4/c1-2-3-11-20-16(23)13-6-4-5-7-14(13)21-15(22)8-9-18(20,21)17(24)25-12-10-19/h4-7H,2-3,8-9,11-12H2,1H3/t18-/m1/s1