(4-nitrophenyl) N-[(E)-1-bromanyl-1-(2-methoxyphenyl)-3-oxidanylidene-3-piperidin-1-yl-prop-1-en-2-yl]carbamate

Systemtic Name: (4-nitrophenyl) N-[(E)-1-bromanyl-1-(2-methoxyphenyl)-3-oxidanylidene-3-piperidin-1-yl-prop-1-en-2-yl]carbamate Openeye Name: (4-nitrophenyl) N-[(E)-2-bromo-2-(2-methoxyphenyl)-1-(piperidine-1-carbonyl)vinyl]carbamate CAS Name: N-[(E)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(1-piperidinyl)prop-1-en-2-yl]carbamic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) N-[(E)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]carbamate Traditional Name: N-[(E)-2-bromo-2-(2-methoxyphenyl)-1-(piperidine-1-carbonyl)vinyl]carbamic acid (4-nitrophenyl) ester Formula: C22H22BrN3O6 MolecularWeight: 504.33058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=C(C(=O)N2CCCCC2)NC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

COC1=CC=CC=C1/C(=C(/C(=O)N2CCCCC2)\NC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])/Br

InChI

InChI=1S/C22H22BrN3O6/c1-31-18-8-4-3-7-17(18)19(23)20(21(27)25-13-5-2-6-14-25)24-22(28)32-16-11-9-15(10-12-16)26(29)30/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,24,28)/b20-19+