(2,4-dinitrophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (2,4-dinitrophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone Openeye Name: (2,4-dinitrophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone CAS Name: (2,4-dinitrophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone IUPAC Name: (2,4-dinitrophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone Traditional Name: (2,4-dinitrophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone Formula: C13H16N4O5 MolecularWeight: 308.28994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCCN(CC1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O5/c1-14-5-2-6-15(8-7-14)13(18)11-4-3-10(16(19)20)9-12(11)17(21)22/h3-4,9H,2,5-8H2,1H3