[2-[(3-nitrophenyl)carbonylamino]-1-(3-oxidanylpropyl)benzimidazol-5-yl] 2,2-dimethylpropanoate

Systemtic Name: [2-[(3-nitrophenyl)carbonylamino]-1-(3-oxidanylpropyl)benzimidazol-5-yl] 2,2-dimethylpropanoate Openeye Name: [1-(3-hydroxypropyl)-2-[(3-nitrobenzoyl)amino]benzimidazol-5-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [1-(3-hydroxypropyl)-2-[[(3-nitrophenyl)-oxomethyl]amino]-5-benzimidazolyl] ester IUPAC Name: [1-(3-hydroxypropyl)-2-[(3-nitrobenzoyl)amino]benzimidazol-5-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-(3-hydroxypropyl)-2-[(3-nitrobenzoyl)amino]benzimidazol-5-yl] ester Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC2=C(C=C1)N(C(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])CCCO

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC2=C(C=C1)N(C(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])CCCO

InChI

InChI=1S/C22H24N4O6/c1-22(2,3)20(29)32-16-8-9-18-17(13-16)23-21(25(18)10-5-11-27)24-19(28)14-6-4-7-15(12-14)26(30)31/h4,6-9,12-13,27H,5,10-11H2,1-3H3,(H,23,24,28)