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

Systemtic Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-nitro-benzoic acid Openeye Name: 3-[(3,5-dimethylisoxazol-4-yl)methoxy]-4-nitro-benzoic acid CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methoxy]-4-nitrobenzoic acid IUPAC Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-nitrobenzoic acid Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)methoxy]-4-nitro-benzoic acid Formula: C13H12N2O6 MolecularWeight: 292.24418

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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)