4-[(E)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-[4-(2-fluorophenyl)-1-piperazinyl]-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-[4-(2-fluorophenyl)piperazino]-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C20H16FN4O4- MolecularWeight: 395.363843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)C(=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)/C(=C/C3=CC(=C(C=C3)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C20H17FN4O4/c21-16-3-1-2-4-17(16)23-7-9-24(10-8-23)20(27)15(13-22)11-14-5-6-19(26)18(12-14)25(28)29/h1-6,11-12,26H,7-10H2/p-1/b15-11+