2-[(2-tert-butylphenyl)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 2-[(2-tert-butylphenyl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 2-(2-tert-butylanilino)benzene-1,3-dicarboxylic acid CAS Name: 2-(2-tert-butylanilino)benzene-1,3-dicarboxylic acid IUPAC Name: 2-(2-tert-butylanilino)benzene-1,3-dicarboxylic acid Traditional Name: 2-(2-tert-butylanilino)isophthalic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC2=C(C=CC=C2C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC2=C(C=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C18H19NO4/c1-18(2,3)13-9-4-5-10-14(13)19-15-11(16(20)21)7-6-8-12(15)17(22)23/h4-10,19H,1-3H3,(H,20,21)(H,22,23)