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

Systemtic Name: N-[(Z)-1-bromanyl-1-(2-methylphenyl)-3-oxidanylidene-3-piperidin-1-yl-prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[(Z)-2-bromo-2-(o-tolyl)-1-(piperidine-1-carbonyl)vinyl]-4-nitro-benzamide CAS Name: N-[(Z)-1-bromo-1-(2-methylphenyl)-3-oxo-3-(1-piperidinyl)prop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[(Z)-1-bromo-1-(2-methylphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[(Z)-2-bromo-2-(o-tolyl)-1-(piperidine-1-carbonyl)vinyl]-4-nitro-benzamide Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=C(C(=O)N2CCCCC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=CC=C1/C(=C(\C(=O)N2CCCCC2)/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/Br

InChI

InChI=1S/C22H22BrN3O4/c1-15-7-3-4-8-18(15)19(23)20(22(28)25-13-5-2-6-14-25)24-21(27)16-9-11-17(12-10-16)26(29)30/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,24,27)/b20-19-