2-(1,2,4-triazol-1-yl)ethyl 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: 2-(1,2,4-triazol-1-yl)ethyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: 2-(1,2,4-triazol-1-yl)ethyl 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid 2-(1,2,4-triazol-1-yl)ethyl ester IUPAC Name: 2-(1,2,4-triazol-1-yl)ethyl 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid 2-(1,2,4-triazol-1-yl)ethyl ester Formula: C14H11N3O4 MolecularWeight: 285.25484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCCN3C=NC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCCN3C=NC=N3

InChI

InChI=1S/C14H11N3O4/c18-13(20-6-5-17-9-15-8-16-17)11-7-10-3-1-2-4-12(10)21-14(11)19/h1-4,7-9H,5-6H2