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

Systemtic Name: 4-aminocarbonylbenzene-1,3-dicarboxylic acid; 1-methoxy-4-methyl-benzene Openeye Name: 4-carbamoylbenzene-1,3-dicarboxylic acid; 1-methoxy-4-methyl-benzene CAS Name: 4-carbamoylbenzene-1,3-dicarboxylic acid; 1-methoxy-4-methylbenzene IUPAC Name: 4-carbamoylbenzene-1,3-dicarboxylic acid; 1-methoxy-4-methylbenzene Traditional Name: 4-carbamoylisophthalic acid; 1-methoxy-4-methyl-benzene Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO5.C8H10O/c10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15;1-7-3-5-8(9-2)6-4-7/h1-3H,(H2,10,11)(H,12,13)(H,14,15);3-6H,1-2H3