2-[5-[(Z)-2-cyano-3-phenylazanyl-prop-2-enyl]-2,3-dimethoxy-phenyl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 2-[5-[(Z)-2-cyano-3-phenylazanyl-prop-2-enyl]-2,3-dimethoxy-phenyl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-[5-[(Z)-3-anilino-2-cyano-allyl]-2,3-dimethoxy-phenyl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 2-[5-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,3-dimethoxyphenyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-[5-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,3-dimethoxyphenyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-[5-[(Z)-3-anilino-2-cyano-allyl]-2,3-dimethoxy-phenyl]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C31H26FN3O5 MolecularWeight: 539.553643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC(=CNC2=CC=CC=C2)C#N)C3=C(C(=O)C4=C(N3C5CC5)C=CC(=C4)F)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C/C(=C/NC2=CC=CC=C2)/C#N)C3=C(C(=O)C4=C(N3C5CC5)C=CC(=C4)F)C(=O)O)OC

InChI

InChI=1S/C31H26FN3O5/c1-39-26-14-18(12-19(16-33)17-34-21-6-4-3-5-7-21)13-24(30(26)40-2)28-27(31(37)38)29(36)23-15-20(32)8-11-25(23)35(28)22-9-10-22/h3-8,11,13-15,17,22,34H,9-10,12H2,1-2H3,(H,37,38)/b19-17-