2-[[[4-[(2-carboxy-4-nitro-phenyl)carbonylamino]phenyl]amino]oxymethyl]-5-nitro-benzoic acid

Systemtic Name: 2-[[[4-[(2-carboxy-4-nitro-phenyl)carbonylamino]phenyl]amino]oxymethyl]-5-nitro-benzoic acid Openeye Name: 2-[[4-[(2-carboxy-4-nitro-benzoyl)amino]anilino]oxymethyl]-5-nitro-benzoic acid CAS Name: 2-[[4-[[(2-carboxy-4-nitrophenyl)-oxomethyl]amino]anilino]oxymethyl]-5-nitrobenzoic acid IUPAC Name: 2-[[4-[(2-carboxy-4-nitrobenzoyl)amino]anilino]oxymethyl]-5-nitrobenzoic acid Traditional Name: 2-[[4-[(2-carboxy-4-nitro-benzoyl)amino]anilino]oxymethyl]-5-nitro-benzoic acid Formula: C22H16N4O10 MolecularWeight: 496.38324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)NOCC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)NOCC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

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