2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-methyl-6-nitro-aniline

Systemtic Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-methyl-6-nitro-aniline Openeye Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-methyl-6-nitro-aniline CAS Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-methyl-6-nitroaniline IUPAC Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-methyl-6-nitroaniline Traditional Name: [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-methyl-6-nitro-phenyl]amine Formula: C17H25N3O2 MolecularWeight: 303.3993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])N)CN2CCC3CCCCC3C2

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])N)CN2CCC3CCCCC3C2

InChI

InChI=1S/C17H25N3O2/c1-12-6-7-16(20(21)22)17(18)15(12)11-19-9-8-13-4-2-3-5-14(13)10-19/h6-7,13-14H,2-5,8-11,18H2,1H3