3-azanyl-6-methyl-5-(phenylcarbonyl)benzene-1,2,4-tricarboxylic acid

Systemtic Name: 3-azanyl-6-methyl-5-(phenylcarbonyl)benzene-1,2,4-tricarboxylic acid Openeye Name: 3-amino-5-benzoyl-6-methyl-benzene-1,2,4-tricarboxylic acid CAS Name: 3-amino-5-benzoyl-6-methylbenzene-1,2,4-tricarboxylic acid IUPAC Name: 3-amino-5-benzoyl-6-methylbenzene-1,2,4-tricarboxylic acid Traditional Name: 3-amino-5-benzoyl-6-methyl-trimellitic acid Formula: C17H13NO7 MolecularWeight: 343.28762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C(=O)C2=CC=CC=C2)C(=O)O)N)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1C(=O)C2=CC=CC=C2)C(=O)O)N)C(=O)O)C(=O)O

InChI

InChI=1S/C17H13NO7/c1-7-9(14(19)8-5-3-2-4-6-8)11(16(22)23)13(18)12(17(24)25)10(7)15(20)21/h2-6H,18H2,1H3,(H,20,21)(H,22,23)(H,24,25)