2,5-bis[3-oxidanylidenebutanoyl(phenyl)amino]terephthalic acid

Systemtic Name: 2,5-bis[3-oxidanylidenebutanoyl(phenyl)amino]terephthalic acid Openeye Name: 2,5-bis[N-(3-oxobutanoyl)anilino]terephthalic acid CAS Name: 2,5-bis[N-(1,3-dioxobutyl)anilino]terephthalic acid IUPAC Name: 2,5-bis[N-(3-oxobutanoyl)anilino]terephthalic acid Traditional Name: 2,5-bis(N-acetoacetylanilino)terephthalic acid Formula: C28H24N2O8 MolecularWeight: 516.49876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)N(C1=CC=CC=C1)C2=CC(=C(C=C2C(=O)O)N(C3=CC=CC=C3)C(=O)CC(=O)C)C(=O)O

Isomeric SMILES

CC(=O)CC(=O)N(C1=CC=CC=C1)C2=CC(=C(C=C2C(=O)O)N(C3=CC=CC=C3)C(=O)CC(=O)C)C(=O)O

InChI

InChI=1S/C28H24N2O8/c1-17(31)13-25(33)29(19-9-5-3-6-10-19)23-15-22(28(37)38)24(16-21(23)27(35)36)30(26(34)14-18(2)32)20-11-7-4-8-12-20/h3-12,15-16H,13-14H2,1-2H3,(H,35,36)(H,37,38)