5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-1-[(1R)-1-phenylethyl]pyridine-3-carbonitrile

Systemtic Name: 5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-1-[(1R)-1-phenylethyl]pyridine-3-carbonitrile Openeye Name: 5-(5-bromo-2-hydroxy-benzoyl)-2-oxo-1-[(1R)-1-phenylethyl]pyridine-3-carbonitrile CAS Name: 5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-2-oxo-1-[(1R)-1-phenylethyl]-3-pyridinecarbonitrile IUPAC Name: 5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[(1R)-1-phenylethyl]pyridine-3-carbonitrile Traditional Name: 5-(5-bromo-2-hydroxy-benzoyl)-2-keto-1-[(1R)-1-phenylethyl]nicotinonitrile Formula: C21H15BrN2O3 MolecularWeight: 423.2594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C21H15BrN2O3/c1-13(14-5-3-2-4-6-14)24-12-16(9-15(11-23)21(24)27)20(26)18-10-17(22)7-8-19(18)25/h2-10,12-13,25H,1H3/t13-/m1/s1