1-[4-[4-(4-ethanoyl-2-nitro-phenyl)-1,4-diazepan-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(4-ethanoyl-2-nitro-phenyl)-1,4-diazepan-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(4-acetyl-2-nitro-phenyl)-1,4-diazepan-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(4-acetyl-2-nitrophenyl)-1,4-diazepan-1-yl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(4-acetyl-2-nitrophenyl)-1,4-diazepan-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(4-acetyl-2-nitro-phenyl)-1,4-diazepan-1-yl]-3-nitro-phenyl]ethanone Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-14(26)16-4-6-18(20(12-16)24(28)29)22-8-3-9-23(11-10-22)19-7-5-17(15(2)27)13-21(19)25(30)31/h4-7,12-13H,3,8-11H2,1-2H3