N-[8-bromanyl-6-(1-nitropropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-yl]ethanamide

Systemtic Name: N-[8-bromanyl-6-(1-nitropropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-yl]ethanamide Openeye Name: N-[8-bromo-6-(1-methyl-2-nitro-ethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]acetamide CAS Name: N-[8-bromo-6-(1-nitropropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-yl]acetamide IUPAC Name: N-[8-bromo-6-(1-nitropropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-yl]acetamide Traditional Name: N-[8-bromo-6-(1-methyl-2-nitro-ethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]acetamide Formula: C14H18BrN3O3 MolecularWeight: 356.21502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](=O)[O-])C1=CC(=C2CNCCC2=C1NC(=O)C)Br

Isomeric SMILES

CC(C[N+](=O)[O-])C1=CC(=C2CNCCC2=C1NC(=O)C)Br

InChI

InChI=1S/C14H18BrN3O3/c1-8(7-18(20)21)11-5-13(15)12-6-16-4-3-10(12)14(11)17-9(2)19/h5,8,16H,3-4,6-7H2,1-2H3,(H,17,19)