methyl 4-oxidanylidene-2-(2-oxidanylidenepropyl)-3,1-benzoxazine-5-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(2-oxidanylidenepropyl)-3,1-benzoxazine-5-carboxylate Openeye Name: methyl 2-acetonyl-4-oxo-3,1-benzoxazine-5-carboxylate CAS Name: 4-oxo-2-(2-oxopropyl)-3,1-benzoxazine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-(2-oxopropyl)-3,1-benzoxazine-5-carboxylate Traditional Name: 2-acetonyl-4-keto-3,1-benzoxazine-5-carboxylic acid methyl ester Formula: C13H11NO5 MolecularWeight: 261.23014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NC2=CC=CC(=C2C(=O)O1)C(=O)OC

Isomeric SMILES

CC(=O)CC1=NC2=CC=CC(=C2C(=O)O1)C(=O)OC

InChI

InChI=1S/C13H11NO5/c1-7(15)6-10-14-9-5-3-4-8(12(16)18-2)11(9)13(17)19-10/h3-5H,6H2,1-2H3