ethyl 7-[cyano-(4-nitrophenyl)methyl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-[cyano-(4-nitrophenyl)methyl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-[cyano-(4-nitrophenyl)methyl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[cyano-(4-nitrophenyl)methyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[cyano-(4-nitrophenyl)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[cyano-(4-nitrophenyl)methyl]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C23H17F2N3O5 MolecularWeight: 453.394986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)C(C#N)C3=CC=C(C=C3)[N+](=O)[O-])F)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)C(C#N)C3=CC=C(C=C3)[N+](=O)[O-])F)C4CC4

InChI

InChI=1S/C23H17F2N3O5/c1-2-33-23(30)17-11-27(13-7-8-13)21-15(22(17)29)9-18(24)19(20(21)25)16(10-26)12-3-5-14(6-4-12)28(31)32/h3-6,9,11,13,16H,2,7-8H2,1H3