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

Systemtic Name: 4-nitro-2-[[2-(3,4,5-trimethoxyphenyl)ethanoylamino]methyl]phenolate Openeye Name: 4-nitro-2-[[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]phenolate CAS Name: 4-nitro-2-[[[1-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]phenolate Traditional Name: 4-nitro-2-[[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]phenolate Formula: C18H19N2O7- MolecularWeight: 375.35266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O7/c1-25-15-6-11(7-16(26-2)18(15)27-3)8-17(22)19-10-12-9-13(20(23)24)4-5-14(12)21/h4-7,9,21H,8,10H2,1-3H3,(H,19,22)/p-1