2-[[2-(2-methyl-5-nitro-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-(2-methyl-5-nitro-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(2-methyl-5-nitro-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(2-methyl-5-nitro-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(2-methyl-5-nitro-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(2-methyl-5-nitro-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C21H18N6O4 MolecularWeight: 418.40542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H18N6O4/c1-24-21(22-20(23-24)27(30)31)25-11-10-13-6-2-3-7-14(13)17(25)12-26-18(28)15-8-4-5-9-16(15)19(26)29/h2-9,17H,10-12H2,1H3