3-[4-(3,5-dinitrophenoxy)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide

Systemtic Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide Openeye Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide CAS Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-N-[2-(4-morpholin-4-iumyl)ethyl]propanamide IUPAC Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide Traditional Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)propionamide Formula: C21H25N4O7+ MolecularWeight: 445.4458

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O7/c26-21(22-7-8-23-9-11-31-12-10-23)6-3-16-1-4-19(5-2-16)32-20-14-17(24(27)28)13-18(15-20)25(29)30/h1-2,4-5,13-15H,3,6-12H2,(H,22,26)/p+1