(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)N4C=NC=N4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)N4C=NC=N4)C

InChI

InChI=1S/C20H16N4O4/c1-12-5-6-15-14(8-17(25)28-18(15)13(12)2)9-27-20(26)16-4-3-7-22-19(16)24-11-21-10-23-24/h3-8,10-11H,9H2,1-2H3