2-[[(6-tert-butyl-2H-1,4-benzoxazin-3-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(6-tert-butyl-2H-1,4-benzoxazin-3-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(6-tert-butyl-2H-1,4-benzoxazin-3-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(6-tert-butyl-2H-1,4-benzoxazin-3-yl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(6-tert-butyl-2H-1,4-benzoxazin-3-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(6-tert-butyl-2H-1,4-benzoxazin-3-yl)amino]methylene]malonic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(=N2)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(=N2)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C16H18N2O5/c1-16(2,3)9-4-5-12-11(6-9)18-13(8-23-12)17-7-10(14(19)20)15(21)22/h4-7H,8H2,1-3H3,(H,17,18)(H,19,20)(H,21,22)