5-[[(4-bromanyl-3-nitro-phenyl)carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[(4-bromanyl-3-nitro-phenyl)carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[(4-bromo-3-nitro-benzoyl)amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(4-bromo-3-nitrophenyl)-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[(4-bromo-3-nitrobenzoyl)amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[(4-bromo-3-nitro-benzoyl)amino]methyl]-2-methoxy-benzoic acid Formula: C16H13BrN2O6 MolecularWeight: 409.18822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H13BrN2O6/c1-25-14-5-2-9(6-11(14)16(21)22)8-18-15(20)10-3-4-12(17)13(7-10)19(23)24/h2-7H,8H2,1H3,(H,18,20)(H,21,22)