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

Systemtic Name: 6-[(2S)-2-chloranylpropanoyl]-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-benzoxazin-3-one Openeye Name: 6-[(2S)-2-chloropropanoyl]-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,4-benzoxazin-3-one CAS Name: 6-[(2S)-2-chloro-1-oxopropyl]-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-[(2S)-2-chloropropanoyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one Traditional Name: 6-[(2S)-2-chloropropanoyl]-4-(2-keto-2-pyrrolidino-ethyl)-1,4-benzoxazin-3-one Formula: C17H19ClN2O4 MolecularWeight: 350.79676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCC3)Cl

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCC3)Cl

InChI

InChI=1S/C17H19ClN2O4/c1-11(18)17(23)12-4-5-14-13(8-12)20(16(22)10-24-14)9-15(21)19-6-2-3-7-19/h4-5,8,11H,2-3,6-7,9-10H2,1H3/t11-/m0/s1