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

Systemtic Name: 2-[[3-[(2-carboxy-3-nitro-phenyl)carbonylamino]propylamino]oxymethyl]-6-nitro-benzoic acid Openeye Name: 2-[[3-[(2-carboxy-3-nitro-benzoyl)amino]propylamino]oxymethyl]-6-nitro-benzoic acid CAS Name: 2-[[3-[[(2-carboxy-3-nitrophenyl)-oxomethyl]amino]propylamino]oxymethyl]-6-nitrobenzoic acid IUPAC Name: 2-[[3-[(2-carboxy-3-nitrobenzoyl)amino]propylamino]oxymethyl]-6-nitrobenzoic acid Traditional Name: 2-[[3-[(2-carboxy-3-nitro-benzoyl)amino]propylamino]oxymethyl]-6-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-])C(=O)O)CONCCCNC(=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)CONCCCNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H18N4O10/c24-17(12-5-2-7-14(23(31)32)16(12)19(27)28)20-8-3-9-21-33-10-11-4-1-6-13(22(29)30)15(11)18(25)26/h1-2,4-7,21H,3,8-10H2,(H,20,24)(H,25,26)(H,27,28)