4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzamide

Systemtic Name: 4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzamide Openeye Name: 4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzamide CAS Name: 4-[2-(4-morpholin-4-iumyl)ethylamino]-3-nitrobenzamide IUPAC Name: 4-(2-morpholin-4-ium-4-ylethylamino)-3-nitrobenzamide Traditional Name: 4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzamide Formula: C13H19N4O4+ MolecularWeight: 295.31436

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O4/c14-13(18)10-1-2-11(12(9-10)17(19)20)15-3-4-16-5-7-21-8-6-16/h1-2,9,15H,3-8H2,(H2,14,18)/p+1