4-[4-[(3,5-dinitrophenyl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[4-[(3,5-dinitrophenyl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[4-[(3,5-dinitrobenzoyl)amino]phenoxy]phthalic acid CAS Name: 4-[4-[[(3,5-dinitrophenyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[4-[(3,5-dinitrobenzoyl)amino]phenoxy]phthalic acid Traditional Name: 4-[4-[(3,5-dinitrobenzoyl)amino]phenoxy]phthalic acid Formula: C21H13N3O10 MolecularWeight: 467.34202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H13N3O10/c25-19(11-7-13(23(30)31)9-14(8-11)24(32)33)22-12-1-3-15(4-2-12)34-16-5-6-17(20(26)27)18(10-16)21(28)29/h1-10H,(H,22,25)(H,26,27)(H,28,29)