2-bromanyl-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]-3,4,5-trimethoxy-benzamide

Systemtic Name: 2-bromanyl-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]-3,4,5-trimethoxy-benzamide Openeye Name: 2-bromo-N-[3-cyano-5-(3-nitrophenyl)-2-furyl]-3,4,5-trimethoxy-benzamide CAS Name: 2-bromo-N-[3-cyano-5-(3-nitrophenyl)-2-furanyl]-3,4,5-trimethoxybenzamide IUPAC Name: 2-bromo-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]-3,4,5-trimethoxybenzamide Traditional Name: 2-bromo-N-[3-cyano-5-(3-nitrophenyl)-2-furyl]-3,4,5-trimethoxy-benzamide Formula: C21H16BrN3O7 MolecularWeight: 502.27164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NC2=C(C=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C#N)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC2=C(C=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C#N)Br)OC)OC

InChI

InChI=1S/C21H16BrN3O7/c1-29-16-9-14(17(22)19(31-3)18(16)30-2)20(26)24-21-12(10-23)8-15(32-21)11-5-4-6-13(7-11)25(27)28/h4-9H,1-3H3,(H,24,26)