3-[4-[[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethanoyl]amino]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 3-[4-[[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethanoyl]amino]phenoxy]-2-methyl-propanoic acid Openeye Name: 3-[4-[[2-(4-chloro-3-nitro-phenyl)-2-oxo-acetyl]amino]phenoxy]-2-methyl-propanoic acid CAS Name: 3-[4-[[2-(4-chloro-3-nitrophenyl)-1,2-dioxoethyl]amino]phenoxy]-2-methylpropanoic acid IUPAC Name: 3-[4-[[2-(4-chloro-3-nitrophenyl)-2-oxoacetyl]amino]phenoxy]-2-methylpropanoic acid Traditional Name: 3-[4-[[2-(4-chloro-3-nitro-phenyl)-2-keto-acetyl]amino]phenoxy]-2-methyl-propionic acid Formula: C18H15ClN2O7 MolecularWeight: 406.7739

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=C(C=C1)NC(=O)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(COC1=CC=C(C=C1)NC(=O)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H15ClN2O7/c1-10(18(24)25)9-28-13-5-3-12(4-6-13)20-17(23)16(22)11-2-7-14(19)15(8-11)21(26)27/h2-8,10H,9H2,1H3,(H,20,23)(H,24,25)