3-[3,5-bis(4-nitrophenoxy)phenyl]carbonylazepan-2-one

Systemtic Name: 3-[3,5-bis(4-nitrophenoxy)phenyl]carbonylazepan-2-one Openeye Name: 3-[3,5-bis(4-nitrophenoxy)benzoyl]azepan-2-one CAS Name: 3-[[3,5-bis(4-nitrophenoxy)phenyl]-oxomethyl]-2-azepanone IUPAC Name: 3-[3,5-bis(4-nitrophenoxy)benzoyl]azepan-2-one Traditional Name: 3-[3,5-bis(4-nitrophenoxy)benzoyl]azepan-2-one Formula: C25H21N3O8 MolecularWeight: 491.44954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)C(=O)C2=CC(=CC(=C2)OC3=CC=C(C=C3)[N+](=O)[O-])OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCNC(=O)C(C1)C(=O)C2=CC(=CC(=C2)OC3=CC=C(C=C3)[N+](=O)[O-])OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O8/c29-24(23-3-1-2-12-26-25(23)30)16-13-21(35-19-8-4-17(5-9-19)27(31)32)15-22(14-16)36-20-10-6-18(7-11-20)28(33)34/h4-11,13-15,23H,1-3,12H2,(H,26,30)