7-(6-cyano-5,6-dimethoxy-5-phenylazanyl-4-prop-2-enyl-cyclohexa-1,3-dien-1-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(6-cyano-5,6-dimethoxy-5-phenylazanyl-4-prop-2-enyl-cyclohexa-1,3-dien-1-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-allyl-5-anilino-6-cyano-5,6-dimethoxy-cyclohexa-1,3-dien-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(5-anilino-6-cyano-5,6-dimethoxy-4-prop-2-enyl-1-cyclohexa-1,3-dienyl)-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(5-anilino-6-cyano-5,6-dimethoxy-4-prop-2-enylcyclohexa-1,3-dien-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-allyl-5-anilino-6-cyano-5,6-dimethoxy-cyclohexa-1,3-dien-1-yl)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C31H28FN3O5 MolecularWeight: 541.569523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H28FN3O5/c1-4-8-19-11-14-25(30(18-33,39-2)31(19,40-3)34-20-9-6-5-7-10-20)22-16-27-23(15-26(22)32)28(36)24(29(37)38)17-35(27)21-12-13-21/h4-7,9-11,14-17,21,34H,1,8,12-13H2,2-3H3,(H,37,38)