4-[2,4-bis[(2-bromanyl-4-nitro-phenyl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[2,4-bis[(2-bromanyl-4-nitro-phenyl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[2,4-bis[(2-bromo-4-nitro-benzoyl)amino]phenoxy]phthalic acid CAS Name: 4-[2,4-bis[[(2-bromo-4-nitrophenyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[2,4-bis[(2-bromo-4-nitrobenzoyl)amino]phenoxy]phthalic acid Traditional Name: 4-[2,4-bis[(2-bromo-4-nitro-benzoyl)amino]phenoxy]phthalic acid Formula: C28H16Br2N4O11 MolecularWeight: 744.25484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Br)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Br)OC4=CC(=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Br)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Br)OC4=CC(=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C28H16Br2N4O11/c29-21-10-14(33(41)42)2-5-18(21)25(35)31-13-1-8-24(45-16-4-7-17(27(37)38)20(12-16)28(39)40)23(9-13)32-26(36)19-6-3-15(34(43)44)11-22(19)30/h1-12H,(H,31,35)(H,32,36)(H,37,38)(H,39,40)