3-chloranyl-N,N-dimethyl-aniline; (E)-3-[3-(dimethylamino)phenyl]prop-2-enoic acid

Systemtic Name: 3-chloranyl-N,N-dimethyl-aniline; (E)-3-[3-(dimethylamino)phenyl]prop-2-enoic acid Openeye Name: 3-chloro-N,N-dimethyl-aniline; (E)-3-[3-(dimethylamino)phenyl]prop-2-enoic acid CAS Name: 3-chloro-N,N-dimethylaniline; (E)-3-[3-(dimethylamino)phenyl]-2-propenoic acid IUPAC Name: 3-chloro-N,N-dimethylaniline; (E)-3-[3-(dimethylamino)phenyl]prop-2-enoic acid Traditional Name: (3-chlorophenyl)-dimethyl-amine; (E)-3-[3-(dimethylamino)phenyl]acrylic acid Formula: C19H23ClN2O2 MolecularWeight: 346.85112

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=CC=C1)Cl.CN(C)C1=CC=CC(=C1)C=CC(=O)O

Isomeric SMILES

CN(C)C1=CC(=CC=C1)Cl.CN(C)C1=CC=CC(=C1)/C=C/C(=O)O

InChI

InChI=1S/C11H13NO2.C8H10ClN/c1-12(2)10-5-3-4-9(8-10)6-7-11(13)14;1-10(2)8-5-3-4-7(9)6-8/h3-8H,1-2H3,(H,13,14);3-6H,1-2H3/b7-6+;