2-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]methyl]-4-nitro-phenolate Formula: C16H14ClN2O5- MolecularWeight: 349.74576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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