3-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-8-methoxy-6-nitro-chromen-2-one

Systemtic Name: 3-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-8-methoxy-6-nitro-chromen-2-one Openeye Name: 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-chromen-2-one CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-8-methoxy-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-8-methoxy-6-nitrochromen-2-one Traditional Name: 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-coumarin Formula: C21H18FN3O6 MolecularWeight: 427.382523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN3O6/c1-30-18-12-16(25(28)29)10-13-11-17(21(27)31-19(13)18)20(26)24-8-6-23(7-9-24)15-4-2-14(22)3-5-15/h2-5,10-12H,6-9H2,1H3