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

Systemtic Name: N-[(E)-1-bromanyl-1-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxidanylidene-prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[(E)-2-bromo-2-(2-methoxyphenyl)-1-(morpholine-4-carbonyl)vinyl]-4-nitro-benzamide CAS Name: N-[(E)-1-bromo-1-(2-methoxyphenyl)-3-(4-morpholinyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[(E)-1-bromo-1-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[(E)-2-bromo-2-(2-methoxyphenyl)-1-(morpholine-4-carbonyl)vinyl]-4-nitro-benzamide Formula: C21H20BrN3O6 MolecularWeight: 490.304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=C(C(=O)N2CCOCC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

COC1=CC=CC=C1/C(=C(/C(=O)N2CCOCC2)\NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/Br

InChI

InChI=1S/C21H20BrN3O6/c1-30-17-5-3-2-4-16(17)18(22)19(21(27)24-10-12-31-13-11-24)23-20(26)14-6-8-15(9-7-14)25(28)29/h2-9H,10-13H2,1H3,(H,23,26)/b19-18+