4-[(2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoate

Systemtic Name: 4-[(2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoate Openeye Name: 4-[(2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate CAS Name: 4-[(2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate IUPAC Name: 4-[(2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate Traditional Name: 4-[(3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)methyl]benzoate Formula: C18H16NO4- MolecularWeight: 310.32394

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=CC=CC=C2O1)CC3=CC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CC1(C(=O)N(C2=CC=CC=C2O1)CC3=CC=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C18H17NO4/c1-18(2)17(22)19(14-5-3-4-6-15(14)23-18)11-12-7-9-13(10-8-12)16(20)21/h3-10H,11H2,1-2H3,(H,20,21)/p-1