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

Systemtic Name: 2-[3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]terephthalic acid Openeye Name: 2-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]terephthalic acid CAS Name: 2-[[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxopropyl]amino]terephthalic acid IUPAC Name: 2-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]terephthalic acid Traditional Name: 2-[3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propanoylamino]terephthalic acid Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O7/c1-11-18(24)22(15-4-2-3-5-16(15)29-11)9-8-17(23)21-14-10-12(19(25)26)6-7-13(14)20(27)28/h2-7,10-11H,8-9H2,1H3,(H,21,23)(H,25,26)(H,27,28)