2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-5-nitro-2-oxidanidyl-phenyl)methylideneamino]-1,2-diphenyl-ethyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-5-nitro-2-oxidanidyl-phenyl)methylideneamino]-1,2-diphenyl-ethyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-5-nitro-2-oxido-phenyl)methyleneamino]-1,2-diphenyl-ethyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-5-nitro-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-5-nitro-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-5-nitro-2-oxido-benzylidene)amino]-1,2-diphenyl-ethyl]iminomethyl]-4-nitro-phenolate Formula: C36H36N4O6-2 MolecularWeight: 620.69424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])C=NC(C2=CC=CC=C2)C(C3=CC=CC=C3)N=CC4=CC(=CC(=C4[O-])C(C)(C)C)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])C=N[C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)N=CC4=CC(=CC(=C4[O-])C(C)(C)C)[N+](=O)[O-])[O-]

InChI

InChI=1S/C36H38N4O6/c1-35(2,3)29-19-27(39(43)44)17-25(33(29)41)21-37-31(23-13-9-7-10-14-23)32(24-15-11-8-12-16-24)38-22-26-18-28(40(45)46)20-30(34(26)42)36(4,5)6/h7-22,31-32,41-42H,1-6H3/p-2/t31-,32-/m1/s1