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

Systemtic Name: 4-[2-[(3-nitrophenyl)carbonylamino]-4-[(4-nitrophenyl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[2-[(3-nitrobenzoyl)amino]-4-[(4-nitrobenzoyl)amino]phenoxy]phthalic acid CAS Name: 4-[2-[[(3-nitrophenyl)-oxomethyl]amino]-4-[[(4-nitrophenyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[2-[(3-nitrobenzoyl)amino]-4-[(4-nitrobenzoyl)amino]phenoxy]phthalic acid Traditional Name: 4-[2-[(3-nitrobenzoyl)amino]-4-[(4-nitrobenzoyl)amino]phenoxy]phthalic acid Formula: C28H18N4O11 MolecularWeight: 586.46272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC4=CC(=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC4=CC(=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C28H18N4O11/c33-25(15-4-7-18(8-5-15)31(39)40)29-17-6-11-24(43-20-9-10-21(27(35)36)22(14-20)28(37)38)23(13-17)30-26(34)16-2-1-3-19(12-16)32(41)42/h1-14H,(H,29,33)(H,30,34)(H,35,36)(H,37,38)