2-[(2-morpholin-4-ylpyridin-3-yl)methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(2-morpholin-4-ylpyridin-3-yl)methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(2-morpholino-3-pyridyl)methylamino]-5-nitro-benzonitrile CAS Name: 2-[[2-(4-morpholinyl)-3-pyridinyl]methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[(2-morpholin-4-ylpyridin-3-yl)methylamino]-5-nitrobenzonitrile Traditional Name: 2-[(2-morpholino-3-pyridyl)methylamino]-5-nitro-benzonitrile Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=N2)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1COCCN1C2=C(C=CC=N2)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H17N5O3/c18-11-14-10-15(22(23)24)3-4-16(14)20-12-13-2-1-5-19-17(13)21-6-8-25-9-7-21/h1-5,10,20H,6-9,12H2