N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4,6-dinitro-1H-benzimidazol-5-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4,6-dinitro-1H-benzimidazol-5-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4,6-dinitro-1H-benzimidazol-5-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4,6-dinitro-1H-benzimidazol-5-amine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4,6-dinitro-1H-benzimidazol-5-amine Traditional Name: homoveratryl-(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amine Formula: C18H19N5O6 MolecularWeight: 401.37336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O6/c1-10-20-12-9-13(22(24)25)17(18(23(26)27)16(12)21-10)19-7-6-11-4-5-14(28-2)15(8-11)29-3/h4-5,8-9,19H,6-7H2,1-3H3,(H,20,21)