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

Systemtic Name: 4-nitro-2-[[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]methyl]phenolate Openeye Name: 4-nitro-2-[[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]methyl]phenolate CAS Name: 4-nitro-2-[[[(E)-1-oxo-3-(2,4,5-trimethoxyphenyl)prop-2-enyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]methyl]phenolate Traditional Name: 2-[[[(E)-3-asarylacryloyl]amino]methyl]-4-nitro-phenolate Formula: C19H19N2O7- MolecularWeight: 387.36336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7/c1-26-16-10-18(28-3)17(27-2)9-12(16)4-7-19(23)20-11-13-8-14(21(24)25)5-6-15(13)22/h4-10,22H,11H2,1-3H3,(H,20,23)/p-1/b7-4+