4-(3-morpholin-4-ium-4-ylpropylamino)-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-5-nitro-phthalonitrile CAS Name: 4-[3-(4-morpholin-4-iumyl)propylamino]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-5-nitro-phthalonitrile Formula: C15H18N5O3+ MolecularWeight: 316.33512

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O3/c16-10-12-8-14(15(20(21)22)9-13(12)11-17)18-2-1-3-19-4-6-23-7-5-19/h8-9,18H,1-7H2/p+1