2-[4-[aminocarbonyl-(2-chloranyl-4-nitro-phenyl)amino]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[aminocarbonyl-(2-chloranyl-4-nitro-phenyl)amino]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-(N-carbamoyl-2-chloro-4-nitro-anilino)phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-(N-carbamoyl-2-chloro-4-nitroanilino)phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-(N-carbamoyl-2-chloro-4-nitroanilino)phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-(N-carbamoyl-2-chloro-4-nitro-anilino)phenoxy]-2-methyl-propionic acid Formula: C17H16ClN3O6 MolecularWeight: 393.77844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)N(C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)N

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)N(C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)N

InChI

InChI=1S/C17H16ClN3O6/c1-17(2,15(22)23)27-12-6-3-10(4-7-12)20(16(19)24)14-8-5-11(21(25)26)9-13(14)18/h3-9H,1-2H3,(H2,19,24)(H,22,23)