4-methoxy-3-nitro-benzoic acid; 1H-1,2,4-triazol-5-amine

Systemtic Name: 4-methoxy-3-nitro-benzoic acid; 1H-1,2,4-triazol-5-amine Openeye Name: 4-methoxy-3-nitro-benzoic acid; 1H-1,2,4-triazol-5-amine CAS Name: 4-methoxy-3-nitrobenzoic acid; 1H-1,2,4-triazol-5-amine IUPAC Name: 4-methoxy-3-nitrobenzoic acid; 1H-1,2,4-triazol-5-amine Traditional Name: 4-methoxy-3-nitro-benzoic acid; 1H-1,2,4-triazol-5-ylamine Formula: C10H11N5O5 MolecularWeight: 281.22484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-].C1=NNC(=N1)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-].C1=NNC(=N1)N

InChI

InChI=1S/C8H7NO5.C2H4N4/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13;3-2-4-1-5-6-2/h2-4H,1H3,(H,10,11);1H,(H3,3,4,5,6)