N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-benzamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-benzamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-benzamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-2-nitrobenzamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-2-nitrobenzamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-benzamide Formula: C13H18N3O4+ MolecularWeight: 280.29972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4/c17-13(11-3-1-2-4-12(11)16(18)19)14-5-6-15-7-9-20-10-8-15/h1-4H,5-10H2,(H,14,17)/p+1