N-[(E)-1-(4-fluorophenyl)-3-oxidanylidene-3-(pyridin-2-ylamino)prop-1-en-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[(E)-1-(4-fluorophenyl)-3-oxidanylidene-3-(pyridin-2-ylamino)prop-1-en-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[(E)-2-(4-fluorophenyl)-1-(2-pyridylcarbamoyl)vinyl]-3,5-dinitro-benzamide CAS Name: N-[(E)-1-(4-fluorophenyl)-3-oxo-3-(2-pyridinylamino)prop-1-en-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[(E)-1-(4-fluorophenyl)-3-oxo-3-(pyridin-2-ylamino)prop-1-en-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[(E)-2-(4-fluorophenyl)-1-(2-pyridylcarbamoyl)vinyl]-3,5-dinitro-benzamide Formula: C21H14FN5O6 MolecularWeight: 451.364163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC(=O)C(=CC2=CC=C(C=C2)F)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)NC(=O)/C(=C\C2=CC=C(C=C2)F)/NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14FN5O6/c22-15-6-4-13(5-7-15)9-18(21(29)25-19-3-1-2-8-23-19)24-20(28)14-10-16(26(30)31)12-17(11-14)27(32)33/h1-12H,(H,24,28)(H,23,25,29)/b18-9+