2-[[2-(2-chloranyl-5-methyl-phenoxy)ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(2-chloranyl-5-methyl-phenoxy)ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(2-chloro-5-methyl-phenoxy)acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-(2-chloro-5-methylphenoxy)-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(2-chloro-5-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(2-chloro-5-methyl-phenoxy)acetyl]amino]methyl]-4-nitro-phenolate Formula: C16H14ClN2O5- MolecularWeight: 349.74576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O5/c1-10-2-4-13(17)15(6-10)24-9-16(21)18-8-11-7-12(19(22)23)3-5-14(11)20/h2-7,20H,8-9H2,1H3,(H,18,21)/p-1