2-[[3-(furan-2-ylcarbonylamino)-4-methyl-phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[3-(furan-2-ylcarbonylamino)-4-methyl-phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[3-(furan-2-carbonylamino)-4-methyl-benzoyl]amino]terephthalic acid CAS Name: 2-[[[3-[[2-furanyl(oxo)methyl]amino]-4-methylphenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]terephthalic acid Traditional Name: 2-[[3-(2-furoylamino)-4-methyl-benzoyl]amino]terephthalic acid Formula: C21H16N2O7 MolecularWeight: 408.36094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H16N2O7/c1-11-4-5-12(9-15(11)22-19(25)17-3-2-8-30-17)18(24)23-16-10-13(20(26)27)6-7-14(16)21(28)29/h2-10H,1H3,(H,22,25)(H,23,24)(H,26,27)(H,28,29)