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

Systemtic Name: 2-[[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]amino]methyl]-4-nitro-phenolate Formula: C18H17N2O6- MolecularWeight: 357.33738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-25-16-7-3-12(9-17(16)26-2)4-8-18(22)19-11-13-10-14(20(23)24)5-6-15(13)21/h3-10,21H,11H2,1-2H3,(H,19,22)/p-1/b8-4+