2-[[[4-[(2-carboxy-3-nitro-phenyl)carbonylamino]phenyl]amino]oxymethyl]-6-nitro-benzoic acid

Systemtic Name: 2-[[[4-[(2-carboxy-3-nitro-phenyl)carbonylamino]phenyl]amino]oxymethyl]-6-nitro-benzoic acid Openeye Name: 2-[[4-[(2-carboxy-3-nitro-benzoyl)amino]anilino]oxymethyl]-6-nitro-benzoic acid CAS Name: 2-[[4-[[(2-carboxy-3-nitrophenyl)-oxomethyl]amino]anilino]oxymethyl]-6-nitrobenzoic acid IUPAC Name: 2-[[4-[(2-carboxy-3-nitrobenzoyl)amino]anilino]oxymethyl]-6-nitrobenzoic acid Traditional Name: 2-[[4-[(2-carboxy-3-nitro-benzoyl)amino]anilino]oxymethyl]-6-nitro-benzoic acid Formula: C22H16N4O10 MolecularWeight: 496.38324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)CONC2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)CONC2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H16N4O10/c27-20(15-4-2-6-17(26(34)35)19(15)22(30)31)23-13-7-9-14(10-8-13)24-36-11-12-3-1-5-16(25(32)33)18(12)21(28)29/h1-10,24H,11H2,(H,23,27)(H,28,29)(H,30,31)