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

Systemtic Name: 3-[4-morpholin-4-ylcarbonyl-3-(3-nitrophenyl)pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-(morpholine-4-carbonyl)-3-(3-nitrophenyl)pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[4-morpholinyl(oxo)methyl]-3-(3-nitrophenyl)-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-(morpholine-4-carbonyl)-3-(3-nitrophenyl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-(morpholine-4-carbonyl)-3-(3-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(=CC=C3)[N+](=O)[O-])CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O4/c18-5-2-6-21-12-15(17(23)20-7-9-26-10-8-20)16(19-21)13-3-1-4-14(11-13)22(24)25/h1,3-4,11-12H,2,6-10H2