2-[[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(E)-3-(2-fluorophenyl)-1-oxoprop-2-enyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(E)-3-(2-fluorophenyl)acryloyl]amino]methyl]-4-nitro-phenolate Formula: C16H12FN2O4- MolecularWeight: 315.275883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])F

InChI

InChI=1S/C16H13FN2O4/c17-14-4-2-1-3-11(14)5-8-16(21)18-10-12-9-13(19(22)23)6-7-15(12)20/h1-9,20H,10H2,(H,18,21)/p-1/b8-5+