2-[2-[(2,4-dimethyl-3-oxidanylidene-1,4-benzoxazin-2-yl)carbonylamino]propanoylamino]pentanedioic acid

Systemtic Name: 2-[2-[(2,4-dimethyl-3-oxidanylidene-1,4-benzoxazin-2-yl)carbonylamino]propanoylamino]pentanedioic acid Openeye Name: 2-[2-[(2,4-dimethyl-3-oxo-1,4-benzoxazine-2-carbonyl)amino]propanoylamino]pentanedioic acid CAS Name: 2-[[2-[[(2,4-dimethyl-3-oxo-1,4-benzoxazin-2-yl)-oxomethyl]amino]-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[2-[(2,4-dimethyl-3-oxo-1,4-benzoxazine-2-carbonyl)amino]propanoylamino]pentanedioic acid Traditional Name: 2-[2-[(3-keto-2,4-dimethyl-1,4-benzoxazine-2-carbonyl)amino]propanoylamino]glutaric acid Formula: C19H23N3O8 MolecularWeight: 421.40122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C1(C(=O)N(C2=CC=CC=C2O1)C)C

Isomeric SMILES

CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C1(C(=O)N(C2=CC=CC=C2O1)C)C

InChI

InChI=1S/C19H23N3O8/c1-10(15(25)21-11(16(26)27)8-9-14(23)24)20-17(28)19(2)18(29)22(3)12-6-4-5-7-13(12)30-19/h4-7,10-11H,8-9H2,1-3H3,(H,20,28)(H,21,25)(H,23,24)(H,26,27)