N-[(E)-1-bromanyl-3-oxidanylidene-1-phenyl-3-piperidin-1-yl-prop-1-en-2-yl]-4-nitro-benzamide

Systemtic Name: N-[(E)-1-bromanyl-3-oxidanylidene-1-phenyl-3-piperidin-1-yl-prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[(E)-2-bromo-2-phenyl-1-(piperidine-1-carbonyl)vinyl]-4-nitro-benzamide CAS Name: N-[(E)-1-bromo-3-oxo-1-phenyl-3-(1-piperidinyl)prop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[(E)-1-bromo-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[(E)-2-bromo-2-phenyl-1-(piperidine-1-carbonyl)vinyl]-4-nitro-benzamide Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=C(C2=CC=CC=C2)Br)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)/C(=C(/C2=CC=CC=C2)\Br)/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20BrN3O4/c22-18(15-7-3-1-4-8-15)19(21(27)24-13-5-2-6-14-24)23-20(26)16-9-11-17(12-10-16)25(28)29/h1,3-4,7-12H,2,5-6,13-14H2,(H,23,26)/b19-18+