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

Systemtic Name: 2-[(2R)-6-[(2S)-2-chloranylpropanoyl]-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]ethanenitrile Openeye Name: 2-[(2R)-6-[(2S)-2-chloropropanoyl]-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]acetonitrile CAS Name: 2-[(2R)-6-[(2S)-2-chloro-1-oxopropyl]-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]acetonitrile IUPAC Name: 2-[(2R)-6-[(2S)-2-chloropropanoyl]-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]acetonitrile Traditional Name: 2-[(2R)-6-[(2S)-2-chloropropanoyl]-3-keto-2-phenyl-1,4-benzoxazin-4-yl]acetonitrile Formula: C19H15ClN2O3 MolecularWeight: 354.787

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC#N)C3=CC=CC=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC#N)C3=CC=CC=C3)Cl

InChI

InChI=1S/C19H15ClN2O3/c1-12(20)17(23)14-7-8-16-15(11-14)22(10-9-21)19(24)18(25-16)13-5-3-2-4-6-13/h2-8,11-12,18H,10H2,1H3/t12-,18+/m0/s1