2-[2-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(3-keto-2-methyl-1,4-benzoxazin-4-yl)acetyl]amino]terephthalic acid Formula: C19H16N2O7 MolecularWeight: 384.33954

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H16N2O7/c1-10-17(23)21(14-4-2-3-5-15(14)28-10)9-16(22)20-13-8-11(18(24)25)6-7-12(13)19(26)27/h2-8,10H,9H2,1H3,(H,20,22)(H,24,25)(H,26,27)