methyl 3-(3-methyl-5-nitro-1,3-dihydro-1,2,4-triazol-2-yl)propanoate

Systemtic Name: methyl 3-(3-methyl-5-nitro-1,3-dihydro-1,2,4-triazol-2-yl)propanoate Openeye Name: methyl 3-(3-methyl-5-nitro-1,3-dihydro-1,2,4-triazol-2-yl)propanoate CAS Name: 3-(3-methyl-5-nitro-1,3-dihydro-1,2,4-triazol-2-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(3-methyl-5-nitro-1,3-dihydro-1,2,4-triazol-2-yl)propanoate Traditional Name: 3-(3-methyl-5-nitro-1,3-dihydro-1,2,4-triazol-2-yl)propionic acid methyl ester Formula: C7H12N4O4 MolecularWeight: 216.19458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1N=C(NN1CCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1N=C(NN1CCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C7H12N4O4/c1-5-8-7(11(13)14)9-10(5)4-3-6(12)15-2/h5H,3-4H2,1-2H3,(H,8,9)