(E)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(4-hydroxy-3-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-3-(4-hydroxy-3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(4-hydroxy-3-nitro-phenyl)acrylonitrile Formula: C20H17FN4O4 MolecularWeight: 396.371783

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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/b15-11+