(5-methyl-1,2-oxazol-3-yl)methyl 4-nitrobenzoate

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-nitrobenzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C12H10N2O5 MolecularWeight: 262.2182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O5/c1-8-6-10(13-19-8)7-18-12(15)9-2-4-11(5-3-9)14(16)17/h2-6H,7H2,1H3