3-(2-methylazepan-1-yl)propyl 4-nitrobenzoate chloride

Systemtic Name: 3-(2-methylazepan-1-yl)propyl 4-nitrobenzoate chloride Openeye Name: 3-(2-methylazepan-1-yl)propyl 4-nitrobenzoate chloride CAS Name: 4-nitrobenzoic acid 3-(2-methyl-1-azepanyl)propyl ester chloride IUPAC Name: 3-(2-methylazepan-1-yl)propyl 4-nitrobenzoate chloride Traditional Name: 4-nitrobenzoic acid 3-(2-methylazepan-1-yl)propyl ester chloride Formula: C17H24ClN2O4- MolecularWeight: 355.83646

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCCN1CCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC1CCCCCN1CCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C17H24N2O4.ClH/c1-14-6-3-2-4-11-18(14)12-5-13-23-17(20)15-7-9-16(10-8-15)19(21)22;/h7-10,14H,2-6,11-13H2,1H3;1H/p-1