[3-[butanoyl-[5-(1-methylbenzimidazol-2-yl)-2-nitro-phenyl]amino]-2-methyl-6-phenyl-phenyl] tert-butyl carbonate

Systemtic Name: [3-[butanoyl-[5-(1-methylbenzimidazol-2-yl)-2-nitro-phenyl]amino]-2-methyl-6-phenyl-phenyl] tert-butyl carbonate Openeye Name: [3-[N-butanoyl-5-(1-methylbenzimidazol-2-yl)-2-nitro-anilino]-2-methyl-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [2-methyl-3-[5-(1-methyl-2-benzimidazolyl)-2-nitro-N-(1-oxobutyl)anilino]-6-phenylphenyl] ester IUPAC Name: [3-[N-butanoyl-5-(1-methylbenzimidazol-2-yl)-2-nitroanilino]-2-methyl-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid tert-butyl [3-[N-butyryl-5-(1-methylbenzimidazol-2-yl)-2-nitro-anilino]-2-methyl-6-phenyl-phenyl] ester Formula: C36H36N4O6 MolecularWeight: 620.69424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=C(C(=C(C=C1)C2=CC=CC=C2)OC(=O)OC(C)(C)C)C)C3=C(C=CC(=C3)C4=NC5=CC=CC=C5N4C)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N(C1=C(C(=C(C=C1)C2=CC=CC=C2)OC(=O)OC(C)(C)C)C)C3=C(C=CC(=C3)C4=NC5=CC=CC=C5N4C)[N+](=O)[O-]

InChI

InChI=1S/C36H36N4O6/c1-7-13-32(41)39(31-22-25(18-20-30(31)40(43)44)34-37-27-16-11-12-17-29(27)38(34)6)28-21-19-26(24-14-9-8-10-15-24)33(23(28)2)45-35(42)46-36(3,4)5/h8-12,14-22H,7,13H2,1-6H3