azane; 2-(4-bromophenyl)ethanoic acid; N-(4-methanoylphenyl)ethanamide

Systemtic Name: azane; 2-(4-bromophenyl)ethanoic acid; N-(4-methanoylphenyl)ethanamide Openeye Name: ammonia; 2-(4-bromophenyl)acetic acid; N-(4-formylphenyl)acetamide CAS Name: ammonia; 2-(4-bromophenyl)acetic acid; N-(4-formylphenyl)acetamide IUPAC Name: azane; 2-(4-bromophenyl)acetic acid; N-(4-formylphenyl)acetamide Traditional Name: ammonia; 2-(4-bromophenyl)acetic acid; N-(4-formylphenyl)acetamide Formula: C17H19BrN2O4 MolecularWeight: 395.24776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=O.C1=CC(=CC=C1CC(=O)O)Br.N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C=O.C1=CC(=CC=C1CC(=O)O)Br.N

InChI

InChI=1S/C9H9NO2.C8H7BrO2.H3N/c1-7(12)10-9-4-2-8(6-11)3-5-9;9-7-3-1-6(2-4-7)5-8(10)11;/h2-6H,1H3,(H,10,12);1-4H,5H2,(H,10,11);1H3