azane; 4-chloranylbenzoic acid; N-(4-methanoylphenyl)ethanamide

Systemtic Name: azane; 4-chloranylbenzoic acid; N-(4-methanoylphenyl)ethanamide Openeye Name: ammonia; 4-chlorobenzoic acid; N-(4-formylphenyl)acetamide CAS Name: ammonia; 4-chlorobenzoic acid; N-(4-formylphenyl)acetamide IUPAC Name: azane; 4-chlorobenzoic acid; N-(4-formylphenyl)acetamide Traditional Name: ammonia; 4-chlorobenzoic acid; N-(4-formylphenyl)acetamide Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=O.C1=CC(=CC=C1C(=O)O)Cl.N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C=O.C1=CC(=CC=C1C(=O)O)Cl.N

InChI

InChI=1S/C9H9NO2.C7H5ClO2.H3N/c1-7(12)10-9-4-2-8(6-11)3-5-9;8-6-3-1-5(2-4-6)7(9)10;/h2-6H,1H3,(H,10,12);1-4H,(H,9,10);1H3