3-[[4-[(2-methyl-5-nitro-benzimidazol-1-yl)methyl]phenyl]carbonylamino]-4-(oxidanylcarbamoyl)pyrrolidine-1-carboxylic acid

Systemtic Name: 3-[[4-[(2-methyl-5-nitro-benzimidazol-1-yl)methyl]phenyl]carbonylamino]-4-(oxidanylcarbamoyl)pyrrolidine-1-carboxylic acid Openeye Name: 3-(hydroxycarbamoyl)-4-[[4-[(2-methyl-5-nitro-benzimidazol-1-yl)methyl]benzoyl]amino]pyrrolidine-1-carboxylic acid CAS Name: 3-[(hydroxyamino)-oxomethyl]-4-[[[4-[(2-methyl-5-nitro-1-benzimidazolyl)methyl]phenyl]-oxomethyl]amino]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-(hydroxycarbamoyl)-4-[[4-[(2-methyl-5-nitrobenzimidazol-1-yl)methyl]benzoyl]amino]pyrrolidine-1-carboxylic acid Traditional Name: 3-(hydroxycarbamoyl)-4-[[4-[(2-methyl-5-nitro-benzimidazol-1-yl)methyl]benzoyl]amino]pyrrolidine-1-carboxylic acid Formula: C22H22N6O7 MolecularWeight: 482.44608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)NC4CN(CC4C(=O)NO)C(=O)O)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)NC4CN(CC4C(=O)NO)C(=O)O)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O7/c1-12-23-17-8-15(28(34)35)6-7-19(17)27(12)9-13-2-4-14(5-3-13)20(29)24-18-11-26(22(31)32)10-16(18)21(30)25-33/h2-8,16,18,33H,9-11H2,1H3,(H,24,29)(H,25,30)(H,31,32)