4-[[(E)-3-(2-chloranyl-8-methyl-quinolin-3-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-3-(2-chloranyl-8-methyl-quinolin-3-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-(2-chloro-8-methyl-3-quinolyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-3-(2-chloro-8-methyl-3-quinolinyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-(2-chloro-8-methylquinolin-3-yl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-(2-chloro-8-methyl-3-quinolyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C21H14ClN3O3 MolecularWeight: 391.80716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)Cl)C=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)Cl)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H14ClN3O3/c1-12-3-2-4-14-9-15(19(22)25-18(12)14)10-16(11-23)20(26)24-17-7-5-13(6-8-17)21(27)28/h2-10H,1H3,(H,24,26)(H,27,28)/b16-10+