1-(azepan-1-yl)-3-[4-(3,5-dinitrophenoxy)phenyl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[4-(3,5-dinitrophenoxy)phenyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[4-(3,5-dinitrophenoxy)phenyl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[4-(3,5-dinitrophenoxy)phenyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[4-(3,5-dinitrophenoxy)phenyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[4-(3,5-dinitrophenoxy)phenyl]propan-1-one Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c25-21(22-11-3-1-2-4-12-22)10-7-16-5-8-19(9-6-16)30-20-14-17(23(26)27)13-18(15-20)24(28)29/h5-6,8-9,13-15H,1-4,7,10-12H2