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

Systemtic Name: 4-[(6-butanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoate Openeye Name: 4-[(6-butanoyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate CAS Name: 4-[[3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]methyl]benzoate IUPAC Name: 4-[(6-butanoyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate Traditional Name: 4-[(6-butyryl-3-keto-1,4-benzoxazin-4-yl)methyl]benzoate Formula: C20H18NO5- MolecularWeight: 352.36062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5/c1-2-3-17(22)15-8-9-18-16(10-15)21(19(23)12-26-18)11-13-4-6-14(7-5-13)20(24)25/h4-10H,2-3,11-12H2,1H3,(H,24,25)/p-1