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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H13BrN2O6/c1-2-25-14-6-3-9(7-13(14)19(23)24)15(20)18-12-5-4-10(17)8-11(12)16(21)22/h3-8H,2H2,1H3,(H,18,20)(H,21,22)