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

Systemtic Name: N-[(E)-1-bromanyl-1-(2-methoxyphenyl)-3-oxidanylidene-3-pyrrol-1-yl-prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[(E)-2-bromo-2-(2-methoxyphenyl)-1-(pyrrole-1-carbonyl)vinyl]-4-nitro-benzamide CAS Name: N-[(E)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(1-pyrrolyl)prop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[(E)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-pyrrol-1-ylprop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[(E)-2-bromo-2-(2-methoxyphenyl)-1-(pyrrole-1-carbonyl)vinyl]-4-nitro-benzamide Formula: C21H16BrN3O5 MolecularWeight: 470.27284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=C(C(=O)N2C=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

COC1=CC=CC=C1/C(=C(/C(=O)N2C=CC=C2)\NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/Br

InChI

InChI=1S/C21H16BrN3O5/c1-30-17-7-3-2-6-16(17)18(22)19(21(27)24-12-4-5-13-24)23-20(26)14-8-10-15(11-9-14)25(28)29/h2-13H,1H3,(H,23,26)/b19-18+