tert-butyl 6-[(4-nitrophenyl)carbonylamino]-2-[4-[(4-nitrophenyl)carbonylamino]phenyl]benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 6-[(4-nitrophenyl)carbonylamino]-2-[4-[(4-nitrophenyl)carbonylamino]phenyl]benzimidazole-1-carboxylate Openeye Name: tert-butyl 6-[(4-nitrobenzoyl)amino]-2-[4-[(4-nitrobenzoyl)amino]phenyl]benzimidazole-1-carboxylate CAS Name: 6-[[(4-nitrophenyl)-oxomethyl]amino]-2-[4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[(4-nitrobenzoyl)amino]-2-[4-[(4-nitrobenzoyl)amino]phenyl]benzimidazole-1-carboxylate Traditional Name: 6-[(4-nitrobenzoyl)amino]-2-[4-[(4-nitrobenzoyl)amino]phenyl]benzimidazole-1-carboxylic acid tert-butyl ester Formula: C32H26N6O8 MolecularWeight: 622.58424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H26N6O8/c1-32(2,3)46-31(41)36-27-18-23(34-30(40)21-8-15-25(16-9-21)38(44)45)12-17-26(27)35-28(36)19-4-10-22(11-5-19)33-29(39)20-6-13-24(14-7-20)37(42)43/h4-18H,1-3H3,(H,33,39)(H,34,40)