4-[4-bromanyl-2-[(3-nitrophenyl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[4-bromanyl-2-[(3-nitrophenyl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[4-bromo-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid CAS Name: 4-[4-bromo-2-[[(3-nitrophenyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[4-bromo-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid Traditional Name: 4-[4-bromo-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid Formula: C21H13BrN2O8 MolecularWeight: 501.24052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)Br)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)Br)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H13BrN2O8/c22-12-4-7-18(32-14-5-6-15(20(26)27)16(10-14)21(28)29)17(9-12)23-19(25)11-2-1-3-13(8-11)24(30)31/h1-10H,(H,23,25)(H,26,27)(H,28,29)