3-(2,2-dimethylpropanoylamino)anthracene-1,9-dicarboxylic acid

Systemtic Name: 3-(2,2-dimethylpropanoylamino)anthracene-1,9-dicarboxylic acid Openeye Name: 3-(2,2-dimethylpropanoylamino)anthracene-1,9-dicarboxylic acid CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]anthracene-1,9-dicarboxylic acid IUPAC Name: 3-(2,2-dimethylpropanoylamino)anthracene-1,9-dicarboxylic acid Traditional Name: 3-(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=CC3=CC=CC=C3C(=C2C(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC2=CC3=CC=CC=C3C(=C2C(=C1)C(=O)O)C(=O)O

InChI

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