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

Systemtic Name: 1-(morpholin-4-ium-4-ylmethyl)-5-nitro-indole-2,3-dione Openeye Name: 1-(morpholin-4-ium-4-ylmethyl)-5-nitro-indoline-2,3-dione CAS Name: 1-(4-morpholin-4-iumylmethyl)-5-nitroindole-2,3-dione IUPAC Name: 1-(morpholin-4-ium-4-ylmethyl)-5-nitroindole-2,3-dione Traditional Name: 1-(morpholin-4-ium-4-ylmethyl)-5-nitro-isatin Formula: C13H14N3O5+ MolecularWeight: 292.26736

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O

Isomeric SMILES

C1COCC[NH+]1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O

InChI

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