N-[(E)-[4-[(4-fluorophenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-2-nitro-benzamide

Systemtic Name: N-[(E)-[4-[(4-fluorophenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-2-nitro-benzamide Openeye Name: N-[(E)-[3-(4-fluoroanilino)-1-methyl-3-oxo-propylidene]amino]-2-nitro-benzamide CAS Name: N-[(E)-[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-2-nitrobenzamide IUPAC Name: N-[(E)-[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-2-nitrobenzamide Traditional Name: N-[(E)-[3-(4-fluoroanilino)-3-keto-1-methyl-propylidene]amino]-2-nitro-benzamide Formula: C17H15FN4O4 MolecularWeight: 358.323803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CC=C1[N+](=O)[O-])CC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=CC=C1[N+](=O)[O-])/CC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H15FN4O4/c1-11(10-16(23)19-13-8-6-12(18)7-9-13)20-21-17(24)14-4-2-3-5-15(14)22(25)26/h2-9H,10H2,1H3,(H,19,23)(H,21,24)/b20-11+