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

Systemtic Name: 4-chloranyl-N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-benzamide Openeye Name: 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-benzamide CAS Name: 4-chloro-N-[2-(4-morpholin-4-iumyl)ethyl]-2-nitrobenzamide IUPAC Name: 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-2-nitrobenzamide Traditional Name: 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-benzamide Formula: C13H17ClN3O4+ MolecularWeight: 314.74478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O4/c14-10-1-2-11(12(9-10)17(19)20)13(18)15-3-4-16-5-7-21-8-6-16/h1-2,9H,3-8H2,(H,15,18)/p+1