2-morpholin-4-ium-4-ylethyl 4-nitrobenzoate

Systemtic Name: 2-morpholin-4-ium-4-ylethyl 4-nitrobenzoate Openeye Name: 2-morpholin-4-ium-4-ylethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(4-morpholin-4-iumyl)ethyl ester IUPAC Name: 2-morpholin-4-ium-4-ylethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-morpholin-4-ium-4-ylethyl ester Formula: C13H17N2O5+ MolecularWeight: 281.28448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c16-13(11-1-3-12(4-2-11)15(17)18)20-10-7-14-5-8-19-9-6-14/h1-4H,5-10H2/p+1