(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-isopropyl-3-methyl-isoxazole-4-carboxylate CAS Name: 3-methyl-5-propan-2-yl-4-isoxazolecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Traditional Name: 5-isopropyl-3-methyl-isoxazole-4-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H18N2O7 MolecularWeight: 362.33402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C(C)C

InChI

InChI=1S/C17H18N2O7/c1-9(2)15-14(10(3)18-26-15)17(20)24-7-12-5-13(19(21)22)4-11-6-23-8-25-16(11)12/h4-5,9H,6-8H2,1-3H3