2-[[2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(4-chloro-2,6-dimethyl-phenoxy)acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-(4-chloro-2,6-dimethylphenoxy)-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(4-chloro-2,6-dimethylphenoxy)acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(4-chloro-2,6-dimethyl-phenoxy)acetyl]amino]methyl]-4-nitro-phenolate Formula: C17H16ClN2O5- MolecularWeight: 363.77234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C)Cl

InChI

InChI=1S/C17H17ClN2O5/c1-10-5-13(18)6-11(2)17(10)25-9-16(22)19-8-12-7-14(20(23)24)3-4-15(12)21/h3-7,21H,8-9H2,1-2H3,(H,19,22)/p-1