2-[[3-[(2-carboxy-5-nitro-phenyl)carbonylamino]propylamino]oxymethyl]-4-nitro-benzoic acid

Systemtic Name: 2-[[3-[(2-carboxy-5-nitro-phenyl)carbonylamino]propylamino]oxymethyl]-4-nitro-benzoic acid Openeye Name: 2-[[3-[(2-carboxy-5-nitro-benzoyl)amino]propylamino]oxymethyl]-4-nitro-benzoic acid CAS Name: 2-[[3-[[(2-carboxy-5-nitrophenyl)-oxomethyl]amino]propylamino]oxymethyl]-4-nitrobenzoic acid IUPAC Name: 2-[[3-[(2-carboxy-5-nitrobenzoyl)amino]propylamino]oxymethyl]-4-nitrobenzoic acid Traditional Name: 2-[[3-[(2-carboxy-5-nitro-benzoyl)amino]propylamino]oxymethyl]-4-nitro-benzoic acid Formula: C19H18N4O10 MolecularWeight: 462.36702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O10/c24-17(16-9-13(23(31)32)3-5-15(16)19(27)28)20-6-1-7-21-33-10-11-8-12(22(29)30)2-4-14(11)18(25)26/h2-5,8-9,21H,1,6-7,10H2,(H,20,24)(H,25,26)(H,27,28)