2-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(4-methyl-3,5-dinitro-benzoyl)amino]terephthalic acid CAS Name: 2-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(4-methyl-3,5-dinitrobenzoyl)amino]terephthalic acid Traditional Name: 2-[(4-methyl-3,5-dinitro-benzoyl)amino]terephthalic acid Formula: C16H11N3O9 MolecularWeight: 389.27324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O9/c1-7-12(18(25)26)5-9(6-13(7)19(27)28)14(20)17-11-4-8(15(21)22)2-3-10(11)16(23)24/h2-6H,1H3,(H,17,20)(H,21,22)(H,23,24)