3-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]naphthalene-2-carboxylic acid

Systemtic Name: 3-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]naphthalene-2-carboxylic acid Openeye Name: 3-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]naphthalene-2-carboxylic acid CAS Name: 3-[[(E)-3-(3,4-dichlorophenyl)-1-oxobut-2-enyl]amino]-2-naphthalenecarboxylic acid IUPAC Name: 3-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]naphthalene-2-carboxylic acid Traditional Name: 3-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-2-naphthoic acid Formula: C21H15Cl2NO3 MolecularWeight: 400.2547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC2=CC=CC=C2C=C1C(=O)O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C/C(=C\C(=O)NC1=CC2=CC=CC=C2C=C1C(=O)O)/C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H15Cl2NO3/c1-12(13-6-7-17(22)18(23)10-13)8-20(25)24-19-11-15-5-3-2-4-14(15)9-16(19)21(26)27/h2-11H,1H3,(H,24,25)(H,26,27)/b12-8+