5-(3-methylbutanoylamino)benzene-1,3-dicarboxylate

Systemtic Name: 5-(3-methylbutanoylamino)benzene-1,3-dicarboxylate Openeye Name: 5-(3-methylbutanoylamino)benzene-1,3-dicarboxylate CAS Name: 5-[(3-methyl-1-oxobutyl)amino]benzene-1,3-dicarboxylate IUPAC Name: 5-(3-methylbutanoylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(isovalerylamino)isophthalate Formula: C13H13NO5-2 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H15NO5/c1-7(2)3-11(15)14-10-5-8(12(16)17)4-9(6-10)13(18)19/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/p-2