4-[4-(cyanomethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-(cyanomethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(cyanomethyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[4-(cyanomethyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[4-(cyanomethyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[4-(cyanomethyl)-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C14H11N2O5- MolecularWeight: 287.24754

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CC#N

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CC#N

InChI

InChI=1S/C14H12N2O5/c15-5-6-16-10-7-9(11(17)2-4-14(19)20)1-3-12(10)21-8-13(16)18/h1,3,7H,2,4,6,8H2,(H,19,20)/p-1