2-[[[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)acryloyl]amino]methyl]-4-nitro-phenolate Formula: C18H16ClN2O6- MolecularWeight: 391.78244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Cl)OC

InChI

InChI=1S/C18H17ClN2O6/c1-26-16-8-11(7-14(19)18(16)27-2)3-6-17(23)20-10-12-9-13(21(24)25)4-5-15(12)22/h3-9,22H,10H2,1-2H3,(H,20,23)/p-1/b6-3+