phenyl 4-azanyl-3-butan-2-yl-5-oxidanylidene-1,2,4-triazole-1-carboxylate

Systemtic Name: phenyl 4-azanyl-3-butan-2-yl-5-oxidanylidene-1,2,4-triazole-1-carboxylate Openeye Name: phenyl 4-amino-5-oxo-3-sec-butyl-1,2,4-triazole-1-carboxylate CAS Name: 4-amino-3-butan-2-yl-5-oxo-1,2,4-triazole-1-carboxylic acid phenyl ester IUPAC Name: phenyl 4-amino-3-butan-2-yl-5-oxo-1,2,4-triazole-1-carboxylate Traditional Name: 4-amino-5-keto-3-sec-butyl-1,2,4-triazole-1-carboxylic acid phenyl ester Formula: C13H16N4O3 MolecularWeight: 276.29114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NN(C(=O)N1N)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCC(C)C1=NN(C(=O)N1N)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C13H16N4O3/c1-3-9(2)11-15-17(12(18)16(11)14)13(19)20-10-7-5-4-6-8-10/h4-9H,3,14H2,1-2H3