2-chloranyl-4-[(E)-3-(dimethylamino)prop-2-enoyl]benzoic acid

Systemtic Name: 2-chloranyl-4-[(E)-3-(dimethylamino)prop-2-enoyl]benzoic acid Openeye Name: 2-chloro-4-[(E)-3-(dimethylamino)prop-2-enoyl]benzoic acid CAS Name: 2-chloro-4-[(E)-3-(dimethylamino)-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 2-chloro-4-[(E)-3-(dimethylamino)prop-2-enoyl]benzoic acid Traditional Name: 2-chloro-4-[(E)-3-(dimethylamino)acryloyl]benzoic acid Formula: C12H12ClNO3 MolecularWeight: 253.68158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO3/c1-14(2)6-5-11(15)8-3-4-9(12(16)17)10(13)7-8/h3-7H,1-2H3,(H,16,17)/b6-5+