1-[3-[[2-nitro-4-(phenylcarbonyl)phenyl]amino]propyl]azepan-2-one

Systemtic Name: 1-[3-[[2-nitro-4-(phenylcarbonyl)phenyl]amino]propyl]azepan-2-one Openeye Name: 1-[3-(4-benzoyl-2-nitro-anilino)propyl]azepan-2-one CAS Name: 1-[3-(4-benzoyl-2-nitroanilino)propyl]-2-azepanone IUPAC Name: 1-[3-(4-benzoyl-2-nitroanilino)propyl]azepan-2-one Traditional Name: 1-[3-(4-benzoyl-2-nitro-anilino)propyl]azepan-2-one Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4/c26-21-10-5-2-6-14-24(21)15-7-13-23-19-12-11-18(16-20(19)25(28)29)22(27)17-8-3-1-4-9-17/h1,3-4,8-9,11-12,16,23H,2,5-7,10,13-15H2