2-[[4-(dimethylamino)-3-nitro-phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[4-(dimethylamino)-3-nitro-phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[4-(dimethylamino)-3-nitro-benzoyl]amino]terephthalic acid CAS Name: 2-[[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[4-(dimethylamino)-3-nitrobenzoyl]amino]terephthalic acid Traditional Name: 2-[[4-(dimethylamino)-3-nitro-benzoyl]amino]terephthalic acid Formula: C17H15N3O7 MolecularWeight: 373.3169

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O7/c1-19(2)13-6-4-9(8-14(13)20(26)27)15(21)18-12-7-10(16(22)23)3-5-11(12)17(24)25/h3-8H,1-2H3,(H,18,21)(H,22,23)(H,24,25)