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

Systemtic Name: N-[(E)-1-(4-fluorophenyl)-3-oxidanylidene-3-phenylazanyl-prop-1-en-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[(E)-2-(4-fluorophenyl)-1-(phenylcarbamoyl)vinyl]-3,5-dinitro-benzamide CAS Name: N-[(E)-3-anilino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[(E)-3-anilino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[(E)-2-(4-fluorophenyl)-1-(phenylcarbamoyl)vinyl]-3,5-dinitro-benzamide Formula: C22H15FN4O6 MolecularWeight: 450.376103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=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=C(C=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/C22H15FN4O6/c23-16-8-6-14(7-9-16)10-20(22(29)24-17-4-2-1-3-5-17)25-21(28)15-11-18(26(30)31)13-19(12-15)27(32)33/h1-13H,(H,24,29)(H,25,28)/b20-10+