2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]pentanedioic acid

Systemtic Name: 2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]pentanedioic acid Openeye Name: 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]pentanedioic acid CAS Name: 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]pentanedioic acid IUPAC Name: 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]pentanedioic acid Traditional Name: 2-[(4-keto-5-methyl-3,1-benzoxazin-2-yl)amino]glutaric acid Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C14H14N2O6/c1-7-3-2-4-8-11(7)13(21)22-14(15-8)16-9(12(19)20)5-6-10(17)18/h2-4,9H,5-6H2,1H3,(H,15,16)(H,17,18)(H,19,20)