4-nitro-2-[[3-(3,4,5-trimethoxyphenyl)propanoylamino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[3-(3,4,5-trimethoxyphenyl)propanoylamino]methyl]phenolate Openeye Name: 4-nitro-2-[[3-(3,4,5-trimethoxyphenyl)propanoylamino]methyl]phenolate CAS Name: 4-nitro-2-[[[1-oxo-3-(3,4,5-trimethoxyphenyl)propyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[3-(3,4,5-trimethoxyphenyl)propanoylamino]methyl]phenolate Traditional Name: 4-nitro-2-[[3-(3,4,5-trimethoxyphenyl)propanoylamino]methyl]phenolate Formula: C19H21N2O7- MolecularWeight: 389.37924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H22N2O7/c1-26-16-8-12(9-17(27-2)19(16)28-3)4-7-18(23)20-11-13-10-14(21(24)25)5-6-15(13)22/h5-6,8-10,22H,4,7,11H2,1-3H3,(H,20,23)/p-1