N-butyl-6,7-dimethoxy-1-methyl-4-nitro-isoquinolin-3-amine

Systemtic Name: N-butyl-6,7-dimethoxy-1-methyl-4-nitro-isoquinolin-3-amine Openeye Name: N-butyl-6,7-dimethoxy-1-methyl-4-nitro-isoquinolin-3-amine CAS Name: N-butyl-6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolinamine IUPAC Name: N-butyl-6,7-dimethoxy-1-methyl-4-nitroisoquinolin-3-amine Traditional Name: butyl-(6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolyl)amine Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C2=CC(=C(C=C2C(=N1)C)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C2=CC(=C(C=C2C(=N1)C)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O4/c1-5-6-7-17-16-15(19(20)21)12-9-14(23-4)13(22-3)8-11(12)10(2)18-16/h8-9H,5-7H2,1-4H3,(H,17,18)