methyl 3-[2-nitro-1-(triphenylmethyl)imidazol-4-yl]-2-[(triphenylmethyl)amino]propanoate

Systemtic Name: methyl 3-[2-nitro-1-(triphenylmethyl)imidazol-4-yl]-2-[(triphenylmethyl)amino]propanoate Openeye Name: methyl 3-(2-nitro-1-trityl-imidazol-4-yl)-2-(tritylamino)propanoate CAS Name: 3-[2-nitro-1-(triphenylmethyl)-4-imidazolyl]-2-[(triphenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-(2-nitro-1-tritylimidazol-4-yl)-2-(tritylamino)propanoate Traditional Name: 3-(2-nitro-1-trityl-imidazol-4-yl)-2-(tritylamino)propionic acid methyl ester Formula: C45H38N4O4 MolecularWeight: 698.80762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C(=N1)[N+](=O)[O-])C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

COC(=O)C(CC1=CN(C(=N1)[N+](=O)[O-])C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C45H38N4O4/c1-53-42(50)41(47-44(34-20-8-2-9-21-34,35-22-10-3-11-23-35)36-24-12-4-13-25-36)32-40-33-48(43(46-40)49(51)52)45(37-26-14-5-15-27-37,38-28-16-6-17-29-38)39-30-18-7-19-31-39/h2-31,33,41,47H,32H2,1H3