2-[5-formamido-2-(1-methyl-4-nitro-pyrrol-2-yl)-1H-benzimidazol-4-yl]butanoic acid

Systemtic Name: 2-[5-formamido-2-(1-methyl-4-nitro-pyrrol-2-yl)-1H-benzimidazol-4-yl]butanoic acid Openeye Name: 2-[5-formamido-2-(1-methyl-4-nitro-pyrrol-2-yl)-1H-benzimidazol-4-yl]butanoic acid CAS Name: 2-[5-formamido-2-(1-methyl-4-nitro-2-pyrrolyl)-1H-benzimidazol-4-yl]butanoic acid IUPAC Name: 2-[5-formamido-2-(1-methyl-4-nitropyrrol-2-yl)-1H-benzimidazol-4-yl]butanoic acid Traditional Name: 2-[5-formamido-2-(1-methyl-4-nitro-pyrrol-2-yl)-1H-benzimidazol-4-yl]butyric acid Formula: C17H17N5O5 MolecularWeight: 371.34738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC2=C1N=C(N2)C3=CC(=CN3C)[N+](=O)[O-])NC=O)C(=O)O

Isomeric SMILES

CCC(C1=C(C=CC2=C1N=C(N2)C3=CC(=CN3C)[N+](=O)[O-])NC=O)C(=O)O

InChI

InChI=1S/C17H17N5O5/c1-3-10(17(24)25)14-11(18-8-23)4-5-12-15(14)20-16(19-12)13-6-9(22(26)27)7-21(13)2/h4-8,10H,3H2,1-2H3,(H,18,23)(H,19,20)(H,24,25)