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

Systemtic Name: 2-[[[4-[[(2-carboxy-3-nitro-phenyl)carbonylamino]methyl]phenyl]methylamino]oxymethyl]-6-nitro-benzoic acid Openeye Name: 2-[[[4-[[(2-carboxy-3-nitro-benzoyl)amino]methyl]phenyl]methylamino]oxymethyl]-6-nitro-benzoic acid CAS Name: 2-[[[4-[[[(2-carboxy-3-nitrophenyl)-oxomethyl]amino]methyl]phenyl]methylamino]oxymethyl]-6-nitrobenzoic acid IUPAC Name: 2-[[[4-[[(2-carboxy-3-nitrobenzoyl)amino]methyl]phenyl]methylamino]oxymethyl]-6-nitrobenzoic acid Traditional Name: 2-[[[4-[[(2-carboxy-3-nitro-benzoyl)amino]methyl]benzyl]amino]oxymethyl]-6-nitro-benzoic acid Formula: C24H20N4O10 MolecularWeight: 524.4364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)CONCC2=CC=C(C=C2)CNC(=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)CONCC2=CC=C(C=C2)CNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C24H20N4O10/c29-22(17-4-2-6-19(28(36)37)21(17)24(32)33)25-11-14-7-9-15(10-8-14)12-26-38-13-16-3-1-5-18(27(34)35)20(16)23(30)31/h1-10,26H,11-13H2,(H,25,29)(H,30,31)(H,32,33)