7-[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: 7-[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: 7-[5-[(Z)-3-anilino-2-cyano-allyl]-2,3-dimethoxy-phenyl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[5-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,3-dimethoxyphenyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[5-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,3-dimethoxyphenyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[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=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C/C(=C/NC2=CC=CC=C2)/C#N)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F)OC

InChI

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