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1-(cyanomethyl)-3-methyl-5-(phenylcarbamoyl)-1,2,3-triazol-3-ium-4-olate

1-(cyanomethyl)-3-methyl-5-(phenylcarbamoyl)-1,2,3-triazol-3-ium-4-olate

Systemtic Name:1-(cyanomethyl)-3-methyl-5-(phenylcarbamoyl)-1,2,3-triazol-3-ium-4-olate
Openeye Name:1-(cyanomethyl)-3-methyl-5-(phenylcarbamoyl)triazol-3-ium-4-olate
CAS Name:5-[anilino(oxo)methyl]-1-(cyanomethyl)-3-methyl-4-triazol-3-iumolate
IUPAC Name:1-(cyanomethyl)-3-methyl-5-(phenylcarbamoyl)triazol-3-ium-4-olate
Traditional Name:1-(cyanomethyl)-3-methyl-5-(phenylcarbamoyl)triazol-3-ium-4-olate
Formula: C12H11N5O2
MolecularWeight: 257.24804
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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NN(C(=C1[O-])C(=O)NC2=CC=CC=C2)CC#N


Isomeric SMILES

C[N+]1=NN(C(=C1[O-])C(=O)NC2=CC=CC=C2)CC#N


InChI

InChI=1S/C12H11N5O2/c1-16-12(19)10(17(15-16)8-7-13)11(18)14-9-5-3-2-4-6-9/h2-6H,8H2,1H3,(H-,14,15,18,19)


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