(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(3,5-dimethylpyrazol-1-yl)nicotinic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C21H16BrN3O4 MolecularWeight: 454.27344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br)C

InChI

InChI=1S/C21H16BrN3O4/c1-12-7-13(2)25(24-12)19-6-3-14(10-23-19)21(27)28-11-15-8-20(26)29-18-9-16(22)4-5-17(15)18/h3-10H,11H2,1-2H3