3-bromanyl-N-[(E)-3-[(4-methylphenyl)amino]-1-(5-nitrofuran-2-yl)-3-oxidanylidene-prop-1-en-2-yl]benzamide

Systemtic Name: 3-bromanyl-N-[(E)-3-[(4-methylphenyl)amino]-1-(5-nitrofuran-2-yl)-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: 3-bromo-N-[(E)-2-(5-nitro-2-furyl)-1-(p-tolylcarbamoyl)vinyl]benzamide CAS Name: 3-bromo-N-[(E)-3-(4-methylanilino)-1-(5-nitro-2-furanyl)-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: 3-bromo-N-[(E)-3-(4-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: 3-bromo-N-[(E)-2-(5-nitro-2-furyl)-1-(p-tolylcarbamoyl)vinyl]benzamide Formula: C21H16BrN3O5 MolecularWeight: 470.27284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=C(O2)[N+](=O)[O-])/NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H16BrN3O5/c1-13-5-7-16(8-6-13)23-21(27)18(12-17-9-10-19(30-17)25(28)29)24-20(26)14-3-2-4-15(22)11-14/h2-12H,1H3,(H,23,27)(H,24,26)/b18-12+