methyl 5-azanyl-1-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 5-amino-1-(2-anilino-2-oxo-ethyl)triazole-4-carboxylate CAS Name: 5-amino-1-(2-anilino-2-oxoethyl)-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-(2-anilino-2-oxoethyl)triazole-4-carboxylate Traditional Name: 5-amino-1-(2-anilino-2-keto-ethyl)triazole-4-carboxylic acid methyl ester Formula: C12H13N5O3 MolecularWeight: 275.26332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)CC(=O)NC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)C1=C(N(N=N1)CC(=O)NC2=CC=CC=C2)N

InChI

InChI=1S/C12H13N5O3/c1-20-12(19)10-11(13)17(16-15-10)7-9(18)14-8-5-3-2-4-6-8/h2-6H,7,13H2,1H3,(H,14,18)