2-morpholin-4-ium-4-ylethyl 3,5-dinitrobenzoate chloride

Systemtic Name: 2-morpholin-4-ium-4-ylethyl 3,5-dinitrobenzoate chloride Openeye Name: 2-morpholin-4-ium-4-ylethyl 3,5-dinitrobenzoate chloride CAS Name: 3,5-dinitrobenzoic acid 2-(4-morpholin-4-iumyl)ethyl ester chloride IUPAC Name: 2-morpholin-4-ium-4-ylethyl 3,5-dinitrobenzoate chloride Traditional Name: 3,5-dinitrobenzoic acid 2-morpholin-4-ium-4-ylethyl ester chloride Formula: C13H16ClN3O7 MolecularWeight: 361.73504

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1COCC[NH+]1CCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C13H15N3O7.ClH/c17-13(23-6-3-14-1-4-22-5-2-14)10-7-11(15(18)19)9-12(8-10)16(20)21;/h7-9H,1-6H2;1H