7-(2,2-dimethylpropanoylamino)anthracene-1,9-dicarboxylic acid

Systemtic Name: 7-(2,2-dimethylpropanoylamino)anthracene-1,9-dicarboxylic acid Openeye Name: 7-(2,2-dimethylpropanoylamino)anthracene-1,9-dicarboxylic acid CAS Name: 7-[(2,2-dimethyl-1-oxopropyl)amino]anthracene-1,9-dicarboxylic acid IUPAC Name: 7-(2,2-dimethylpropanoylamino)anthracene-1,9-dicarboxylic acid Traditional Name: 7-(pivaloylamino)anthracene-1,9-dicarboxylic acid Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC2=C(C=C1)C=C3C=CC=C(C3=C2C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC2=C(C=C1)C=C3C=CC=C(C3=C2C(=O)O)C(=O)O

InChI

InChI=1S/C21H19NO5/c1-21(2,3)20(27)22-13-8-7-11-9-12-5-4-6-14(18(23)24)16(12)17(19(25)26)15(11)10-13/h4-10H,1-3H3,(H,22,27)(H,23,24)(H,25,26)