4-chloranyl-3-[2-[[ethanoyl(methyl)amino]methyl]-4-nitro-phenoxy]carbonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[[ethanoyl(methyl)amino]methyl]-4-nitro-phenoxy]carbonyl-benzoic acid Openeye Name: 3-[2-[[acetyl(methyl)amino]methyl]-4-nitro-phenoxy]carbonyl-4-chloro-benzoic acid CAS Name: 3-[[2-[[acetyl(methyl)amino]methyl]-4-nitrophenoxy]-oxomethyl]-4-chlorobenzoic acid IUPAC Name: 3-[2-[[acetyl(methyl)amino]methyl]-4-nitrophenoxy]carbonyl-4-chlorobenzoic acid Traditional Name: 3-[2-[[acetyl(methyl)amino]methyl]-4-nitro-phenoxy]carbonyl-4-chloro-benzoic acid Formula: C18H15ClN2O7 MolecularWeight: 406.7739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O7/c1-10(22)20(2)9-12-7-13(21(26)27)4-6-16(12)28-18(25)14-8-11(17(23)24)3-5-15(14)19/h3-8H,9H2,1-2H3,(H,23,24)