4-(4-butyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: 4-(4-butyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-4-oxidanylidene-butanoate Openeye Name: 4-(4-butyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxo-butanoate CAS Name: 4-(4-butyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate IUPAC Name: 4-(4-butyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate Traditional Name: 4-(4-butyl-3-keto-1,4-benzoxazin-6-yl)-4-keto-butyrate Formula: C16H18NO5- MolecularWeight: 304.31782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)COC2=C1C=C(C=C2)C(=O)CCC(=O)[O-]

Isomeric SMILES

CCCCN1C(=O)COC2=C1C=C(C=C2)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H19NO5/c1-2-3-8-17-12-9-11(13(18)5-7-16(20)21)4-6-14(12)22-10-15(17)19/h4,6,9H,2-3,5,7-8,10H2,1H3,(H,20,21)/p-1