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

Systemtic Name: 2-[(2R)-6-[(2S)-2-chloranylpropanoyl]-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanenitrile Openeye Name: 2-[(2R)-6-[(2S)-2-chloropropanoyl]-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]acetonitrile CAS Name: 2-[(2R)-6-[(2S)-2-chloro-1-oxopropyl]-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetonitrile IUPAC Name: 2-[(2R)-6-[(2S)-2-chloropropanoyl]-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetonitrile Traditional Name: 2-[(2R)-6-[(2S)-2-chloropropanoyl]-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]acetonitrile Formula: C16H17ClN2O3 MolecularWeight: 320.77078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C(C)Cl)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O3/c1-9(2)15-16(21)19(7-6-18)12-8-11(14(20)10(3)17)4-5-13(12)22-15/h4-5,8-10,15H,7H2,1-3H3/t10-,15+/m0/s1