azepan-1-yl-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone

Systemtic Name: azepan-1-yl-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone Openeye Name: azepan-1-yl-(5-isopropyl-4-nitro-isoxazol-3-yl)methanone CAS Name: 1-azepanyl-(4-nitro-5-propan-2-yl-3-isoxazolyl)methanone IUPAC Name: azepan-1-yl-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone Traditional Name: azepan-1-yl-(5-isopropyl-4-nitro-isoxazol-3-yl)methanone Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NO1)C(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C(=NO1)C(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4/c1-9(2)12-11(16(18)19)10(14-20-12)13(17)15-7-5-3-4-6-8-15/h9H,3-8H2,1-2H3