N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]-5-nitro-2-pyrrolidino-benzamide Formula: C20H20N4O5 MolecularWeight: 396.3966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C20H20N4O5/c1-12-19(25)22-16-10-13(4-7-18(16)29-12)21-20(26)15-11-14(24(27)28)5-6-17(15)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,26)(H,22,25)/t12-/m0/s1