(4-methyl-1,4-diazepan-1-yl)-(4-methyl-3,5-dinitro-phenyl)methanone

Systemtic Name: (4-methyl-1,4-diazepan-1-yl)-(4-methyl-3,5-dinitro-phenyl)methanone Openeye Name: (4-methyl-1,4-diazepan-1-yl)-(4-methyl-3,5-dinitro-phenyl)methanone CAS Name: (4-methyl-1,4-diazepan-1-yl)-(4-methyl-3,5-dinitrophenyl)methanone IUPAC Name: (4-methyl-1,4-diazepan-1-yl)-(4-methyl-3,5-dinitrophenyl)methanone Traditional Name: (4-methyl-1,4-diazepan-1-yl)-(4-methyl-3,5-dinitro-phenyl)methanone Formula: C14H18N4O5 MolecularWeight: 322.31652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2CCCN(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2CCCN(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O5/c1-10-12(17(20)21)8-11(9-13(10)18(22)23)14(19)16-5-3-4-15(2)6-7-16/h8-9H,3-7H2,1-2H3