5-[3-[4-(3,4-dinitrophenyl)-2,6-dimethyl-phenoxy]propyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[3-[4-(3,4-dinitrophenyl)-2,6-dimethyl-phenoxy]propyl]-3-methyl-1,2-oxazole Openeye Name: 5-[3-[4-(3,4-dinitrophenyl)-2,6-dimethyl-phenoxy]propyl]-3-methyl-isoxazole CAS Name: 5-[3-[4-(3,4-dinitrophenyl)-2,6-dimethylphenoxy]propyl]-3-methylisoxazole IUPAC Name: 5-[3-[4-(3,4-dinitrophenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole Traditional Name: 5-[3-[4-(3,4-dinitrophenyl)-2,6-dimethyl-phenoxy]propyl]-3-methyl-isoxazole Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)C3=CC(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)C3=CC(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-13-9-17(16-6-7-19(23(25)26)20(12-16)24(27)28)10-14(2)21(13)29-8-4-5-18-11-15(3)22-30-18/h6-7,9-12H,4-5,8H2,1-3H3