4-aminocarbonylbenzene-1,3-dicarboxylic acid; 1-chloranyl-4-methyl-benzene

Systemtic Name: 4-aminocarbonylbenzene-1,3-dicarboxylic acid; 1-chloranyl-4-methyl-benzene Openeye Name: 4-carbamoylbenzene-1,3-dicarboxylic acid; 1-chloro-4-methyl-benzene CAS Name: 4-carbamoylbenzene-1,3-dicarboxylic acid; 1-chloro-4-methylbenzene IUPAC Name: 4-carbamoylbenzene-1,3-dicarboxylic acid; 1-chloro-4-methylbenzene Traditional Name: 4-carbamoylisophthalic acid; 1-chloro-4-methyl-benzene Formula: C16H14ClNO5 MolecularWeight: 335.73906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO5.C7H7Cl/c10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15;1-6-2-4-7(8)5-3-6/h1-3H,(H2,10,11)(H,12,13)(H,14,15);2-5H,1H3