2-(azepan-1-ylmethyl)-1-(4-nitrophenyl)prop-2-en-1-one chloride

Systemtic Name: 2-(azepan-1-ylmethyl)-1-(4-nitrophenyl)prop-2-en-1-one chloride Openeye Name: 2-(azepan-1-ylmethyl)-1-(4-nitrophenyl)prop-2-en-1-one chloride CAS Name: 2-(1-azepanylmethyl)-1-(4-nitrophenyl)-2-propen-1-one chloride IUPAC Name: 2-(azepan-1-ylmethyl)-1-(4-nitrophenyl)prop-2-en-1-one chloride Traditional Name: 2-(azepan-1-ylmethyl)-1-(4-nitrophenyl)prop-2-en-1-one chloride Formula: C16H20ClN2O3- MolecularWeight: 323.7946

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CN1CCCCCC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C=C(CN1CCCCCC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C16H20N2O3.ClH/c1-13(12-17-10-4-2-3-5-11-17)16(19)14-6-8-15(9-7-14)18(20)21;/h6-9H,1-5,10-12H2;1H/p-1