tert-butyl 2-[5-[(3,5-dinitrophenyl)carbonylamino]benzimidazol-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-[(3,5-dinitrophenyl)carbonylamino]benzimidazol-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-[(3,5-dinitrobenzoyl)amino]benzimidazol-1-yl]acetate CAS Name: 2-[5-[[(3,5-dinitrophenyl)-oxomethyl]amino]-1-benzimidazolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-[(3,5-dinitrobenzoyl)amino]benzimidazol-1-yl]acetate Traditional Name: 2-[5-[(3,5-dinitrobenzoyl)amino]benzimidazol-1-yl]acetic acid tert-butyl ester Formula: C20H19N5O7 MolecularWeight: 441.39416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=NC2=C1C=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=NC2=C1C=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O7/c1-20(2,3)32-18(26)10-23-11-21-16-8-13(4-5-17(16)23)22-19(27)12-6-14(24(28)29)9-15(7-12)25(30)31/h4-9,11H,10H2,1-3H3,(H,22,27)