5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile CAS Name: 5-[2-(4-morpholin-4-iumyl)ethylamino]-2-(4-nitrophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile Formula: C16H18N5O4+ MolecularWeight: 344.34522

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=C(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1COCC[NH+]1CCNC2=C(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H17N5O4/c17-11-14-16(18-5-6-20-7-9-24-10-8-20)25-15(19-14)12-1-3-13(4-2-12)21(22)23/h1-4,18H,5-10H2/p+1