3-[(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoate

Systemtic Name: 3-[(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoate Openeye Name: 3-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate CAS Name: 3-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate IUPAC Name: 3-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate Traditional Name: 3-[(3-keto-6-methyl-1,4-benzoxazin-4-yl)methyl]benzoate Formula: C17H14NO4- MolecularWeight: 296.29736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C17H15NO4/c1-11-5-6-15-14(7-11)18(16(19)10-22-15)9-12-3-2-4-13(8-12)17(20)21/h2-8H,9-10H2,1H3,(H,20,21)/p-1