ethyl 1-azanyl-5-oxidanylidene-3-(phenylmethyl)-2H-1,2,3-triazol-3-ium-4-carboxylate

Systemtic Name: ethyl 1-azanyl-5-oxidanylidene-3-(phenylmethyl)-2H-1,2,3-triazol-3-ium-4-carboxylate Openeye Name: ethyl 1-amino-3-benzyl-5-oxo-2H-triazol-3-ium-4-carboxylate CAS Name: 1-amino-5-oxo-3-(phenylmethyl)-2H-triazol-3-ium-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-amino-3-benzyl-5-oxo-2H-triazol-3-ium-4-carboxylate Traditional Name: 1-amino-3-benzyl-5-keto-2H-triazol-3-ium-4-carboxylic acid ethyl ester Formula: C12H15N4O3+ MolecularWeight: 263.2725

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](NN(C1=O)N)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=[N+](NN(C1=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C12H14N4O3/c1-2-19-12(18)10-11(17)16(13)14-15(10)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2-,13,14,17,18)/p+1