2-methylpropyl-[2-(3-nitrophenyl)carbonyloxyethyl]azanium chloride

Systemtic Name: 2-methylpropyl-[2-(3-nitrophenyl)carbonyloxyethyl]azanium chloride Openeye Name: isobutyl-[2-(3-nitrobenzoyl)oxyethyl]ammonium chloride CAS Name: 2-methylpropyl-[2-[(3-nitrophenyl)-oxomethoxy]ethyl]ammonium chloride IUPAC Name: 2-methylpropyl-[2-(3-nitrobenzoyl)oxyethyl]azanium chloride Traditional Name: isobutyl-[2-(3-nitrobenzoyl)oxyethyl]ammonium chloride Formula: C13H19ClN2O4 MolecularWeight: 302.75396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC(C)C[NH2+]CCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C13H18N2O4.ClH/c1-10(2)9-14-6-7-19-13(16)11-4-3-5-12(8-11)15(17)18;/h3-5,8,10,14H,6-7,9H2,1-2H3;1H