butanoic acid; N-[2-(1-methyl-4-nitro-pyrrol-2-yl)-3H-benzimidazol-5-yl]methanamide

Systemtic Name: butanoic acid; N-[2-(1-methyl-4-nitro-pyrrol-2-yl)-3H-benzimidazol-5-yl]methanamide Openeye Name: butyric acid; N-[2-(1-methyl-4-nitro-pyrrol-2-yl)-3H-benzimidazol-5-yl]formamide CAS Name: butanoic acid; N-[2-(1-methyl-4-nitro-2-pyrrolyl)-3H-benzimidazol-5-yl]formamide IUPAC Name: butanoic acid; N-[2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazol-5-yl]formamide Traditional Name: butyric acid; N-[2-(1-methyl-4-nitro-pyrrol-2-yl)-3H-benzimidazol-5-yl]formamide Formula: C17H19N5O5 MolecularWeight: 373.36326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)O.CN1C=C(C=C1C2=NC3=C(N2)C=C(C=C3)NC=O)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)O.CN1C=C(C=C1C2=NC3=C(N2)C=C(C=C3)NC=O)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3.C4H8O2/c1-17-6-9(18(20)21)5-12(17)13-15-10-3-2-8(14-7-19)4-11(10)16-13;1-2-3-4(5)6/h2-7H,1H3,(H,14,19)(H,15,16);2-3H2,1H3,(H,5,6)