3,5-bis(bromanyl)-2-[2-(4-methoxy-3-nitro-phenyl)propanoylamino]benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-2-[2-(4-methoxy-3-nitro-phenyl)propanoylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[2-(4-methoxy-3-nitro-phenyl)propanoylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[2-(4-methoxy-3-nitrophenyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[2-(4-methoxy-3-nitrophenyl)propanoylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[2-(4-methoxy-3-nitro-phenyl)propanoylamino]benzoic acid Formula: C17H14Br2N2O6 MolecularWeight: 502.11086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)[N+](=O)[O-])C(=O)NC2=C(C=C(C=C2C(=O)O)Br)Br

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)[N+](=O)[O-])C(=O)NC2=C(C=C(C=C2C(=O)O)Br)Br

InChI

InChI=1S/C17H14Br2N2O6/c1-8(9-3-4-14(27-2)13(5-9)21(25)26)16(22)20-15-11(17(23)24)6-10(18)7-12(15)19/h3-8H,1-2H3,(H,20,22)(H,23,24)