1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-7-(3-methylpiperazin-1-yl)-3-(2-nitroethanoyl)quinolin-4-one

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-7-(3-methylpiperazin-1-yl)-3-(2-nitroethanoyl)quinolin-4-one Openeye Name: 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-3-(2-nitroacetyl)quinolin-4-one CAS Name: 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methyl-1-piperazinyl)-3-(2-nitro-1-oxoethyl)-4-quinolinone IUPAC Name: 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-3-(2-nitroacetyl)quinolin-4-one Traditional Name: 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazino)-3-(2-nitroacetyl)-4-quinolone Formula: C22H19F3N4O4 MolecularWeight: 460.40587

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)C[N+](=O)[O-])C4=C(C=C(C=C4)F)F)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)C[N+](=O)[O-])C4=C(C=C(C=C4)F)F)F

InChI

InChI=1S/C22H19F3N4O4/c1-12-9-27(5-4-26-12)20-8-19-14(7-17(20)25)22(31)15(21(30)11-29(32)33)10-28(19)18-3-2-13(23)6-16(18)24/h2-3,6-8,10,12,26H,4-5,9,11H2,1H3