1-[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]triazole-4-carboxylate CAS Name: 1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]triazole-4-carboxylate Traditional Name: 1-[2-(3-keto-1,4-benzoxazin-4-yl)ethyl]triazole-4-carboxylate Formula: C13H11N4O4- MolecularWeight: 287.25084

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2O1)CCN3C=C(N=N3)C(=O)[O-]

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2O1)CCN3C=C(N=N3)C(=O)[O-]

InChI

InChI=1S/C13H12N4O4/c18-12-8-21-11-4-2-1-3-10(11)17(12)6-5-16-7-9(13(19)20)14-15-16/h1-4,7H,5-6,8H2,(H,19,20)/p-1