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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dinitro-1H-benzimidazol-5-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dinitro-1H-benzimidazol-5-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dinitro-1H-benzimidazol-5-amine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dinitro-1H-benzimidazol-5-amine Traditional Name: (4,6-dinitro-1H-benzimidazol-5-yl)-homoveratryl-amine Formula: C17H17N5O6 MolecularWeight: 387.34678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=C3C(=C2[N+](=O)[O-])N=CN3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=C3C(=C2[N+](=O)[O-])N=CN3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17N5O6/c1-27-13-4-3-10(7-14(13)28-2)5-6-18-16-12(21(23)24)8-11-15(20-9-19-11)17(16)22(25)26/h3-4,7-9,18H,5-6H2,1-2H3,(H,19,20)