sodium 5-ethoxycarbonyl-3-[(E)-(phenylmethylidene)amino]-1,2,3-triazol-4-olate

Systemtic Name: sodium 5-ethoxycarbonyl-3-[(E)-(phenylmethylidene)amino]-1,2,3-triazol-4-olate Openeye Name: sodium 3-[(E)-benzylideneamino]-5-ethoxycarbonyl-triazol-4-olate CAS Name: sodium 5-ethoxycarbonyl-3-[(E)-(phenylmethylene)amino]-4-triazololate IUPAC Name: sodium 3-[(E)-benzylideneamino]-5-ethoxycarbonyltriazol-4-olate Traditional Name: sodium 3-[(E)-benzalamino]-5-carbethoxy-triazol-4-olate Formula: C12H11N4NaO3 MolecularWeight: 282.23051

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)N=CC2=CC=CC=C2)[O-].[Na+]

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)/N=C/C2=CC=CC=C2)[O-].[Na+]

InChI

InChI=1S/C12H12N4O3.Na/c1-2-19-12(18)10-11(17)16(15-14-10)13-8-9-6-4-3-5-7-9;/h3-8,17H,2H2,1H3;/q;+1/p-1/b13-8+;