2-[4-(azepan-1-yl)-3-nitro-phenyl]-5-methyl-1,3,4-oxadiazole

Systemtic Name: 2-[4-(azepan-1-yl)-3-nitro-phenyl]-5-methyl-1,3,4-oxadiazole Openeye Name: 2-[4-(azepan-1-yl)-3-nitro-phenyl]-5-methyl-1,3,4-oxadiazole CAS Name: 2-[4-(1-azepanyl)-3-nitrophenyl]-5-methyl-1,3,4-oxadiazole IUPAC Name: 2-[4-(azepan-1-yl)-3-nitrophenyl]-5-methyl-1,3,4-oxadiazole Traditional Name: 2-[4-(azepan-1-yl)-3-nitro-phenyl]-5-methyl-1,3,4-oxadiazole Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(O1)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O3/c1-11-16-17-15(22-11)12-6-7-13(14(10-12)19(20)21)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9H2,1H3