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

Systemtic Name: 2-[3-(2-diethylaminoethyl)-4-nitro-phenyl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[3-(2-diethylaminoethyl)-4-nitro-phenyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[3-(2-diethylaminoethyl)-4-nitrophenyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[3-(2-diethylaminoethyl)-4-nitrophenyl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[3-(2-diethylaminoethyl)-4-nitro-phenyl]-1H-benzimidazole-4-carboxamide Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3/c1-3-24(4-2)11-10-13-12-14(8-9-17(13)25(27)28)20-22-16-7-5-6-15(19(21)26)18(16)23-20/h5-9,12H,3-4,10-11H2,1-2H3,(H2,21,26)(H,22,23)