methyl 3-azanyl-4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: methyl 3-azanyl-4-(1,2,4-triazol-1-yl)benzoate Openeye Name: methyl 3-amino-4-(1,2,4-triazol-1-yl)benzoate CAS Name: 3-amino-4-(1,2,4-triazol-1-yl)benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 3-amino-4-(1,2,4-triazol-1-yl)benzoic acid methyl ester Formula: C10H10N4O2 MolecularWeight: 218.212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2C=NC=N2)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2C=NC=N2)N

InChI

InChI=1S/C10H10N4O2/c1-16-10(15)7-2-3-9(8(11)4-7)14-6-12-5-13-14/h2-6H,11H2,1H3