2-morpholin-4-ylcarbonyl-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: 2-morpholin-4-ylcarbonyl-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: 2-(morpholine-4-carbonyl)-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: 2-[4-morpholinyl(oxo)methyl]-3-[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(morpholine-4-carbonyl)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: 2-(morpholine-4-carbonyl)-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C23H19N5O4 MolecularWeight: 429.42806

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C#N

Isomeric SMILES

C1COCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H19N5O4/c24-15-18(23(29)26-9-11-32-12-10-26)13-19-16-27(20-6-2-1-3-7-20)25-22(19)17-5-4-8-21(14-17)28(30)31/h1-8,13-14,16H,9-12H2