2-[[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(E)-3-(2-chloro-6-fluoro-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(E)-3-(2-chloro-6-fluorophenyl)-1-oxoprop-2-enyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(E)-3-(2-chloro-6-fluoro-phenyl)acryloyl]amino]methyl]-4-nitro-phenolate Formula: C16H11ClFN2O4- MolecularWeight: 349.720943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClFN2O4/c17-13-2-1-3-14(18)12(13)5-7-16(22)19-9-10-8-11(20(23)24)4-6-15(10)21/h1-8,21H,9H2,(H,19,22)/p-1/b7-5+