2-[6-[(2S)-2-chloranylpropanoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanenitrile

Systemtic Name: 2-[6-[(2S)-2-chloranylpropanoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanenitrile Openeye Name: 2-[6-[(2S)-2-chloropropanoyl]-3-oxo-1,4-benzoxazin-4-yl]acetonitrile CAS Name: 2-[6-[(2S)-2-chloro-1-oxopropyl]-3-oxo-1,4-benzoxazin-4-yl]acetonitrile IUPAC Name: 2-[6-[(2S)-2-chloropropanoyl]-3-oxo-1,4-benzoxazin-4-yl]acetonitrile Traditional Name: 2-[6-[(2S)-2-chloropropanoyl]-3-keto-1,4-benzoxazin-4-yl]acetonitrile Formula: C13H11ClN2O3 MolecularWeight: 278.69104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2CC#N)Cl

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OCC(=O)N2CC#N)Cl

InChI

InChI=1S/C13H11ClN2O3/c1-8(14)13(18)9-2-3-11-10(6-9)16(5-4-15)12(17)7-19-11/h2-3,6,8H,5,7H2,1H3/t8-/m0/s1