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

Systemtic Name: 2-[[[(2-carboxy-3-nitro-phenyl)carbonylamino]methylamino]oxymethyl]-6-nitro-benzoic acid Openeye Name: 2-[[[(2-carboxy-3-nitro-benzoyl)amino]methylamino]oxymethyl]-6-nitro-benzoic acid CAS Name: 2-[[[[(2-carboxy-3-nitrophenyl)-oxomethyl]amino]methylamino]oxymethyl]-6-nitrobenzoic acid IUPAC Name: 2-[[[(2-carboxy-3-nitrobenzoyl)amino]methylamino]oxymethyl]-6-nitrobenzoic acid Traditional Name: 2-[[[(2-carboxy-3-nitro-benzoyl)amino]methylamino]oxymethyl]-6-nitro-benzoic acid Formula: C17H14N4O10 MolecularWeight: 434.31386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)CONCNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)CONCNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H14N4O10/c22-15(10-4-2-6-12(21(29)30)14(10)17(25)26)18-8-19-31-7-9-3-1-5-11(20(27)28)13(9)16(23)24/h1-6,19H,7-8H2,(H,18,22)(H,23,24)(H,25,26)