2-[3-chloranyl-2-[(4-nitrophenyl)carbamoylamino]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[3-chloranyl-2-[(4-nitrophenyl)carbamoylamino]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-chloro-2-[(4-nitrophenyl)carbamoylamino]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-chloro-2-[[(4-nitroanilino)-oxomethyl]amino]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-chloro-2-[(4-nitrophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-chloro-2-[(4-nitrophenyl)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=C(C(=CC=C1)Cl)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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