4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazine-7-carboxylic acid

Systemtic Name: 4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazine-7-carboxylic acid Openeye Name: 4-isopentyl-3-oxo-1,4-benzoxazine-7-carboxylic acid CAS Name: 4-(3-methylbutyl)-3-oxo-1,4-benzoxazine-7-carboxylic acid IUPAC Name: 4-(3-methylbutyl)-3-oxo-1,4-benzoxazine-7-carboxylic acid Traditional Name: 4-isoamyl-3-keto-1,4-benzoxazine-7-carboxylic acid Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)COC2=C1C=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)CCN1C(=O)COC2=C1C=CC(=C2)C(=O)O

InChI

InChI=1S/C14H17NO4/c1-9(2)5-6-15-11-4-3-10(14(17)18)7-12(11)19-8-13(15)16/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)