azepan-1-yl-(2-methyl-3,5-dinitro-phenyl)methanone

Systemtic Name: azepan-1-yl-(2-methyl-3,5-dinitro-phenyl)methanone Openeye Name: azepan-1-yl-(2-methyl-3,5-dinitro-phenyl)methanone CAS Name: 1-azepanyl-(2-methyl-3,5-dinitrophenyl)methanone IUPAC Name: azepan-1-yl-(2-methyl-3,5-dinitrophenyl)methanone Traditional Name: azepan-1-yl-(2-methyl-3,5-dinitro-phenyl)methanone Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)N2CCCCCC2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)N2CCCCCC2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5/c1-10-12(14(18)15-6-4-2-3-5-7-15)8-11(16(19)20)9-13(10)17(21)22/h8-9H,2-7H2,1H3