2-[[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]methyl]-4-nitro-phenolate Formula: C16H11BrFN2O4- MolecularWeight: 394.171943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CNC(=O)C=CC2=C(C=CC(=C2)Br)F)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrFN2O4/c17-12-2-4-14(18)10(7-12)1-6-16(22)19-9-11-8-13(20(23)24)3-5-15(11)21/h1-8,21H,9H2,(H,19,22)/p-1/b6-1+