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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-nitro-benzoic acid Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methoxy]-5-nitro-benzoic acid CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methoxy]-5-nitrobenzoic acid IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-nitrobenzoic acid Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methoxy]-5-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=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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