2-[(2-methyl-6-nitro-phenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(2-methyl-6-nitro-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(2-methyl-6-nitro-benzoyl)amino]terephthalic acid CAS Name: 2-[[(2-methyl-6-nitrophenyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(2-methyl-6-nitrobenzoyl)amino]terephthalic acid Traditional Name: 2-[(2-methyl-6-nitro-benzoyl)amino]terephthalic acid Formula: C16H12N2O7 MolecularWeight: 344.27568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H12N2O7/c1-8-3-2-4-12(18(24)25)13(8)14(19)17-11-7-9(15(20)21)5-6-10(11)16(22)23/h2-7H,1H3,(H,17,19)(H,20,21)(H,22,23)