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

Systemtic Name: 2-morpholin-4-ium-4-ylethyl 3,5-dinitrobenzoate Openeye Name: 2-morpholin-4-ium-4-ylethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-(4-morpholin-4-iumyl)ethyl ester IUPAC Name: 2-morpholin-4-ium-4-ylethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2-morpholin-4-ium-4-ylethyl ester Formula: C13H16N3O7+ MolecularWeight: 326.28204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O7/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/p+1