(1S)-1-(4-imidazol-1-ylphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine

Systemtic Name: (1S)-1-(4-imidazol-1-ylphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine Openeye Name: (1S)-1-(4-imidazol-1-ylphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine CAS Name: (1S)-1-[4-(1-imidazolyl)phenyl]-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine IUPAC Name: (1S)-1-(4-imidazol-1-ylphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine Traditional Name: [(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NCC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)N2C=CN=C2)NCC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C19H18N4O4/c1-13(14-2-4-16(5-3-14)22-7-6-20-11-22)21-10-15-8-18-19(27-12-26-18)9-17(15)23(24)25/h2-9,11,13,21H,10,12H2,1H3/t13-/m0/s1