3-[4-morpholin-4-ylcarbonyl-3-(4-nitrophenyl)pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-morpholin-4-ylcarbonyl-3-(4-nitrophenyl)pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-(morpholine-4-carbonyl)-3-(4-nitrophenyl)pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[4-morpholinyl(oxo)methyl]-3-(4-nitrophenyl)-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-(morpholine-4-carbonyl)-3-(4-nitrophenyl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-(morpholine-4-carbonyl)-3-(4-nitrophenyl)pyrazol-1-yl]propionitrile Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])CCC#N

Isomeric SMILES

C1COCCN1C(=O)C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C17H17N5O4/c18-6-1-7-21-12-15(17(23)20-8-10-26-11-9-20)16(19-21)13-2-4-14(5-3-13)22(24)25/h2-5,12H,1,7-11H2