[5-nitro-2-(3,4,5-trimethoxyphenyl)phenyl]-[4-[5-nitro-2-(3,4,5-trimethoxyphenyl)phenyl]carbonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: [5-nitro-2-(3,4,5-trimethoxyphenyl)phenyl]-[4-[5-nitro-2-(3,4,5-trimethoxyphenyl)phenyl]carbonyl-1,4-diazepan-1-yl]methanone Openeye Name: [4-[5-nitro-2-(3,4,5-trimethoxyphenyl)benzoyl]-1,4-diazepan-1-yl]-[5-nitro-2-(3,4,5-trimethoxyphenyl)phenyl]methanone CAS Name: [5-nitro-2-(3,4,5-trimethoxyphenyl)phenyl]-[4-[[5-nitro-2-(3,4,5-trimethoxyphenyl)phenyl]-oxomethyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-[5-nitro-2-(3,4,5-trimethoxyphenyl)benzoyl]-1,4-diazepan-1-yl]-[5-nitro-2-(3,4,5-trimethoxyphenyl)phenyl]methanone Traditional Name: [4-[5-nitro-2-(3,4,5-trimethoxyphenyl)benzoyl]-1,4-diazepan-1-yl]-[5-nitro-2-(3,4,5-trimethoxyphenyl)phenyl]methanone Formula: C37H38N4O12 MolecularWeight: 730.71722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCCN(CC3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C5=CC(=C(C(=C5)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCCN(CC3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C37H38N4O12/c1-48-30-16-22(17-31(49-2)34(30)52-5)26-10-8-24(40(44)45)20-28(26)36(42)38-12-7-13-39(15-14-38)37(43)29-21-25(41(46)47)9-11-27(29)23-18-32(50-3)35(53-6)33(19-23)51-4/h8-11,16-21H,7,12-15H2,1-6H3