2-[4-[(2-chloranyl-5-nitro-phenyl)carbamoylamino]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[(2-chloranyl-5-nitro-phenyl)carbamoylamino]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[(2-chloro-5-nitro-phenyl)carbamoylamino]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[(2-chloro-5-nitroanilino)-oxomethyl]amino]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[(2-chloro-5-nitrophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[(2-chloro-5-nitro-phenyl)carbamoylamino]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)NC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

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