N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-8-nitro-isoquinolin-5-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-8-nitro-isoquinolin-5-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-8-nitro-isoquinolin-5-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-8-nitro-5-isoquinolinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-8-nitroisoquinolin-5-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl-methyl-(8-nitro-5-isoquinolyl)amine Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1COC2=CC=CC=C2O1)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4/c1-21(11-13-12-25-18-4-2-3-5-19(18)26-13)16-6-7-17(22(23)24)15-10-20-9-8-14(15)16/h2-10,13H,11-12H2,1H3