2-butylpentadecanamide; 2-(1-methyl-4-nitro-pyrrol-2-yl)-1H-benzimidazole

Systemtic Name: 2-butylpentadecanamide; 2-(1-methyl-4-nitro-pyrrol-2-yl)-1H-benzimidazole Openeye Name: 2-butylpentadecanamide; 2-(1-methyl-4-nitro-pyrrol-2-yl)-1H-benzimidazole CAS Name: 2-butylpentadecanamide; 2-(1-methyl-4-nitro-2-pyrrolyl)-1H-benzimidazole IUPAC Name: 2-butylpentadecanamide; 2-(1-methyl-4-nitropyrrol-2-yl)-1H-benzimidazole Traditional Name: 2-butylpentadecanamide; 2-(1-methyl-4-nitro-pyrrol-2-yl)-1H-benzimidazole Formula: C31H49N5O3 MolecularWeight: 539.75246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCC)C(=O)N.CN1C=C(C=C1C2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC(CCCC)C(=O)N.CN1C=C(C=C1C2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C19H39NO.C12H10N4O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-18(19(20)21)16-6-4-2;1-15-7-8(16(17)18)6-11(15)12-13-9-4-2-3-5-10(9)14-12/h18H,3-17H2,1-2H3,(H2,20,21);2-7H,1H3,(H,13,14)