2-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-1-pyrrolidin-1-yl-ethanone CAS Name: 2-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-1-pyrrolidin-1-ylethanone Traditional Name: 2-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-1-pyrrolidino-ethanone Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)N3CCCC3)C

Isomeric SMILES

CC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)N3CCCC3)C

InChI

InChI=1S/C16H21N3O4/c1-16(2)11-18(10-15(20)17-7-3-4-8-17)13-9-12(19(21)22)5-6-14(13)23-16/h5-6,9H,3-4,7-8,10-11H2,1-2H3