2-(morpholin-4-ium-4-ylmethyl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(4-morpholin-4-iumylmethyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)-5-nitro-isoindoline-1,3-quinone Formula: C13H14N3O5+ MolecularWeight: 292.26736

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c17-12-10-2-1-9(16(19)20)7-11(10)13(18)15(12)8-14-3-5-21-6-4-14/h1-2,7H,3-6,8H2/p+1