4-[[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzoate

Systemtic Name: 4-[[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzoate Openeye Name: 4-[[[(E)-3-[5-(2-nitrophenyl)-2-furyl]prop-2-enoyl]amino]methyl]benzoate CAS Name: 4-[[[(E)-3-[5-(2-nitrophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]methyl]benzoate IUPAC Name: 4-[[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzoate Traditional Name: 4-[[[(E)-3-[5-(2-nitrophenyl)-2-furyl]acryloyl]amino]methyl]benzoate Formula: C21H15N2O6- MolecularWeight: 391.3536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(O2)C=CC(=O)NCC3=CC=C(C=C3)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/C(=O)NCC3=CC=C(C=C3)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O6/c24-20(22-13-14-5-7-15(8-6-14)21(25)26)12-10-16-9-11-19(29-16)17-3-1-2-4-18(17)23(27)28/h1-12H,13H2,(H,22,24)(H,25,26)/p-1/b12-10+