3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-nitro-benzoate

Systemtic Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-nitro-benzoate Openeye Name: 3-[(3,5-dimethylisoxazol-4-yl)methoxy]-4-nitro-benzoate CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methoxy]-4-nitrobenzoate IUPAC Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-nitrobenzoate Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)methoxy]-4-nitro-benzoate Formula: C13H11N2O6- MolecularWeight: 291.23624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=C(C=CC(=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=C(C=CC(=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O6/c1-7-10(8(2)21-14-7)6-20-12-5-9(13(16)17)3-4-11(12)15(18)19/h3-5H,6H2,1-2H3,(H,16,17)/p-1