4-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazine-7-carboxylate

Systemtic Name: 4-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazine-7-carboxylate Openeye Name: 4-isobutyl-3-oxo-1,4-benzoxazine-7-carboxylate CAS Name: 4-(2-methylpropyl)-3-oxo-1,4-benzoxazine-7-carboxylate IUPAC Name: 4-(2-methylpropyl)-3-oxo-1,4-benzoxazine-7-carboxylate Traditional Name: 4-isobutyl-3-keto-1,4-benzoxazine-7-carboxylate Formula: C13H14NO4- MolecularWeight: 248.25456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)COC2=C1C=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)COC2=C1C=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H15NO4/c1-8(2)6-14-10-4-3-9(13(16)17)5-11(10)18-7-12(14)15/h3-5,8H,6-7H2,1-2H3,(H,16,17)/p-1