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

Systemtic Name: 2-[[3-(2,5-dimethylphenoxy)propanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[3-(2,5-dimethylphenoxy)propanoylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[[3-(2,5-dimethylphenoxy)-1-oxopropyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[3-(2,5-dimethylphenoxy)propanoylamino]methyl]-4-nitrophenolate Traditional Name: 2-[[3-(2,5-dimethylphenoxy)propanoylamino]methyl]-4-nitro-phenolate Formula: C18H19N2O5- MolecularWeight: 343.35386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H20N2O5/c1-12-3-4-13(2)17(9-12)25-8-7-18(22)19-11-14-10-15(20(23)24)5-6-16(14)21/h3-6,9-10,21H,7-8,11H2,1-2H3,(H,19,22)/p-1