[4-(azepan-1-yl)-3-nitro-phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-[(2S)-2-methyl-4-morpholinyl]methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-[(2S)-2-methylmorpholin-4-yl]methanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[(2S)-2-methylmorpholino]methanone Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CN(CCO1)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O4/c1-14-13-20(10-11-25-14)18(22)15-6-7-16(17(12-15)21(23)24)19-8-4-2-3-5-9-19/h6-7,12,14H,2-5,8-11,13H2,1H3/t14-/m0/s1