2-[[(E)-3-(2-chloranyl-6-methyl-quinolin-3-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-(2-chloranyl-6-methyl-quinolin-3-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(2-chloro-6-methyl-3-quinolyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(2-chloro-6-methyl-3-quinolinyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(2-chloro-6-methylquinolin-3-yl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(2-chloro-6-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=CC2=CC(=C(N=C2C=C1)Cl)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)Cl)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H14ClN3O3/c1-12-6-7-17-13(8-12)9-14(19(22)24-17)10-15(11-23)20(26)25-18-5-3-2-4-16(18)21(27)28/h2-10H,1H3,(H,25,26)(H,27,28)/b15-10+