4-[[(E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-(2,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-(2,4-dichlorophenyl)acryloyl]amino]benzoic acid Formula: C17H10Cl2N2O3 MolecularWeight: 361.1789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)C(=CC2=C(C=C(C=C2)Cl)Cl)C#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)/C(=C/C2=C(C=C(C=C2)Cl)Cl)/C#N

InChI

InChI=1S/C17H10Cl2N2O3/c18-13-4-1-11(15(19)8-13)7-12(9-20)16(22)21-14-5-2-10(3-6-14)17(23)24/h1-8H,(H,21,22)(H,23,24)/b12-7+