[(4-cyanophenyl)amino] 2-[3-bromanyl-5-(hydroxymethyl)phenyl]ethanoate

Systemtic Name: [(4-cyanophenyl)amino] 2-[3-bromanyl-5-(hydroxymethyl)phenyl]ethanoate Openeye Name: (4-cyanoanilino) 2-[3-bromo-5-(hydroxymethyl)phenyl]acetate CAS Name: 2-[3-bromo-5-(hydroxymethyl)phenyl]acetic acid (4-cyanoanilino) ester IUPAC Name: (4-cyanoanilino) 2-[3-bromo-5-(hydroxymethyl)phenyl]acetate Traditional Name: 2-(3-bromo-5-methylol-phenyl)acetic acid (4-cyanoanilino) ester Formula: C16H13BrN2O3 MolecularWeight: 361.19002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NOC(=O)CC2=CC(=CC(=C2)Br)CO

Isomeric SMILES

C1=CC(=CC=C1C#N)NOC(=O)CC2=CC(=CC(=C2)Br)CO

InChI

InChI=1S/C16H13BrN2O3/c17-14-6-12(5-13(7-14)10-20)8-16(21)22-19-15-3-1-11(9-18)2-4-15/h1-7,19-20H,8,10H2