2-[3-(2-dimethylaminoethyl)-4-nitro-phenyl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[3-(2-dimethylaminoethyl)-4-nitro-phenyl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[3-(2-dimethylaminoethyl)-4-nitro-phenyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[3-(2-dimethylaminoethyl)-4-nitrophenyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[3-(2-dimethylaminoethyl)-4-nitrophenyl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[3-(2-dimethylaminoethyl)-4-nitro-phenyl]-1H-benzimidazole-4-carboxamide Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=C(C=CC(=C1)C2=NC3=C(C=CC=C3N2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCC1=C(C=CC(=C1)C2=NC3=C(C=CC=C3N2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O3/c1-22(2)9-8-11-10-12(6-7-15(11)23(25)26)18-20-14-5-3-4-13(17(19)24)16(14)21-18/h3-7,10H,8-9H2,1-2H3,(H2,19,24)(H,20,21)