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

Systemtic Name: 2-[(4-ethoxy-3-nitro-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(4-ethoxy-3-nitro-benzoyl)amino]terephthalic acid CAS Name: 2-[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(4-ethoxy-3-nitrobenzoyl)amino]terephthalic acid Traditional Name: 2-[(4-ethoxy-3-nitro-benzoyl)amino]terephthalic acid Formula: C17H14N2O8 MolecularWeight: 374.30166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O8/c1-2-27-14-6-4-9(8-13(14)19(25)26)15(20)18-12-7-10(16(21)22)3-5-11(12)17(23)24/h3-8H,2H2,1H3,(H,18,20)(H,21,22)(H,23,24)