4-aminocarbonylbenzene-1,3-dicarboxylic acid; 1,2,3-trimethylbenzene

Systemtic Name: 4-aminocarbonylbenzene-1,3-dicarboxylic acid; 1,2,3-trimethylbenzene Openeye Name: 4-carbamoylbenzene-1,3-dicarboxylic acid; 1,2,3-trimethylbenzene CAS Name: 4-carbamoylbenzene-1,3-dicarboxylic acid; 1,2,3-trimethylbenzene IUPAC Name: 4-carbamoylbenzene-1,3-dicarboxylic acid; 1,2,3-trimethylbenzene Traditional Name: 4-carbamoylisophthalic acid; hemimellitene Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)C.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)N

InChI

InChI=1S/C9H7NO5.C9H12/c10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15;1-7-5-4-6-8(2)9(7)3/h1-3H,(H2,10,11)(H,12,13)(H,14,15);4-6H,1-3H3