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

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-nitro-benzoic acid Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-nitro-benzoic acid CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-nitrobenzoic acid IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-nitrobenzoic acid Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-nitro-benzoic acid Formula: C12H12N4O5 MolecularWeight: 292.24748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=NN=C(N1C)COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H12N4O5/c1-7-13-14-11(15(7)2)6-21-10-4-3-8(16(19)20)5-9(10)12(17)18/h3-5H,6H2,1-2H3,(H,17,18)