2-methyl-4,6-dinitro-N-(3-phenylpropyl)-1H-benzimidazol-5-amine

Systemtic Name: 2-methyl-4,6-dinitro-N-(3-phenylpropyl)-1H-benzimidazol-5-amine Openeye Name: 2-methyl-4,6-dinitro-N-(3-phenylpropyl)-1H-benzimidazol-5-amine CAS Name: 2-methyl-4,6-dinitro-N-(3-phenylpropyl)-1H-benzimidazol-5-amine IUPAC Name: 2-methyl-4,6-dinitro-N-(3-phenylpropyl)-1H-benzimidazol-5-amine Traditional Name: (2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)-(3-phenylpropyl)amine Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])NCCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])NCCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4/c1-11-19-13-10-14(21(23)24)16(17(22(25)26)15(13)20-11)18-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10,18H,5,8-9H2,1H3,(H,19,20)