2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[4-[2-(dimethylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[4-[2-(dimethylamino)-2-keto-ethyl]-1,4-diazepan-1-yl]-N-(2-nitrophenyl)acetamide Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCCN(CC1)CC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)CN1CCCN(CC1)CC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O4/c1-19(2)17(24)13-21-9-5-8-20(10-11-21)12-16(23)18-14-6-3-4-7-15(14)22(25)26/h3-4,6-7H,5,8-13H2,1-2H3,(H,18,23)