4-[2-[(4-azanyl-3-nitro-phenyl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[2-[(4-azanyl-3-nitro-phenyl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[2-[(4-amino-3-nitro-benzoyl)amino]phenoxy]phthalic acid CAS Name: 4-[2-[[(4-amino-3-nitrophenyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[2-[(4-amino-3-nitrobenzoyl)amino]phenoxy]phthalic acid Traditional Name: 4-[2-[(4-amino-3-nitro-benzoyl)amino]phenoxy]phthalic acid Formula: C21H15N3O8 MolecularWeight: 437.3591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O8/c22-15-8-5-11(9-17(15)24(30)31)19(25)23-16-3-1-2-4-18(16)32-12-6-7-13(20(26)27)14(10-12)21(28)29/h1-10H,22H2,(H,23,25)(H,26,27)(H,28,29)