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

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (7-bromo-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-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-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 (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C18H11BrN4O4 MolecularWeight: 427.20834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N2C=NC=N2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

C1=CC(=C(N=C1)N2C=NC=N2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C18H11BrN4O4/c19-12-3-4-13-11(6-16(24)27-15(13)7-12)8-26-18(25)14-2-1-5-21-17(14)23-10-20-9-22-23/h1-7,9-10H,8H2