4-[4-(cyanomethyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-(cyanomethyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(cyanomethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[4-(cyanomethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[4-(cyanomethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[4-(cyanomethyl)-3-keto-2,2-dimethyl-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C16H15N2O5- MolecularWeight: 315.3007

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CC#N)C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CC#N)C

InChI

InChI=1S/C16H16N2O5/c1-16(2)15(22)18(8-7-17)11-9-10(3-5-13(11)23-16)12(19)4-6-14(20)21/h3,5,9H,4,6,8H2,1-2H3,(H,20,21)/p-1