benzoic acid; 2-chloranyl-N,4-dimethyl-benzamide

Systemtic Name: benzoic acid; 2-chloranyl-N,4-dimethyl-benzamide Openeye Name: benzoic acid; 2-chloro-N,4-dimethyl-benzamide CAS Name: benzoic acid; 2-chloro-N,4-dimethylbenzamide IUPAC Name: benzoic acid; 2-chloro-N,4-dimethylbenzamide Traditional Name: benzoic acid; 2-chloro-N,4-dimethyl-benzamide Formula: C16H16ClNO3 MolecularWeight: 305.75614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC)Cl.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC)Cl.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H10ClNO.C7H6O2/c1-6-3-4-7(8(10)5-6)9(12)11-2;8-7(9)6-4-2-1-3-5-6/h3-5H,1-2H3,(H,11,12);1-5H,(H,8,9)