4-[[(E)-3-[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-3-[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-[5-(2-bromo-4-nitro-phenyl)-2-furyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-3-[5-(2-bromo-4-nitrophenyl)-2-furanyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-[5-(2-bromo-4-nitro-phenyl)-2-furyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C21H12BrN3O6 MolecularWeight: 482.24048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Br)C#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)/C(=C/C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Br)/C#N

InChI

InChI=1S/C21H12BrN3O6/c22-18-10-15(25(29)30)5-7-17(18)19-8-6-16(31-19)9-13(11-23)20(26)24-14-3-1-12(2-4-14)21(27)28/h1-10H,(H,24,26)(H,27,28)/b13-9+