(Z)-[1-azanyl-5-oxidanylidene-3-(phenylmethyl)-1,2,3-triazol-3-ium-4-ylidene]-ethoxy-methanolate

Systemtic Name: (Z)-[1-azanyl-5-oxidanylidene-3-(phenylmethyl)-1,2,3-triazol-3-ium-4-ylidene]-ethoxy-methanolate Openeye Name: (Z)-(1-amino-3-benzyl-5-oxo-triazol-3-ium-4-ylidene)-ethoxy-methanolate CAS Name: (Z)-[1-amino-5-oxo-3-(phenylmethyl)-4-triazol-3-iumylidene]-ethoxymethanolate IUPAC Name: (Z)-(1-amino-3-benzyl-5-oxotriazol-3-ium-4-ylidene)-ethoxymethanolate Traditional Name: (Z)-(1-amino-3-benzyl-5-keto-triazol-3-ium-4-ylidene)-ethoxy-methanolate Formula: C12H14N4O3 MolecularWeight: 262.26456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(=O)N(N=[N+]1CC2=CC=CC=C2)N)[O-]

Isomeric SMILES

CCO/C(=C\1/C(=O)N(N=[N+]1CC2=CC=CC=C2)N)/[O-]

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)