2-[(4,5-dimethoxy-2-nitro-phenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(4,5-dimethoxy-2-nitro-benzoyl)amino]terephthalic acid CAS Name: 2-[[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]terephthalic acid Traditional Name: 2-[(4,5-dimethoxy-2-nitro-benzoyl)amino]terephthalic acid Formula: C17H14N2O9 MolecularWeight: 390.30106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C17H14N2O9/c1-27-13-6-10(12(19(25)26)7-14(13)28-2)15(20)18-11-5-8(16(21)22)3-4-9(11)17(23)24/h3-7H,1-2H3,(H,18,20)(H,21,22)(H,23,24)