(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C23H21N5O5 MolecularWeight: 447.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O5/c1-16-20(14-24)22(27(25-16)17-5-3-2-4-6-17)15-33-23(29)19-13-18(28(30)31)7-8-21(19)26-9-11-32-12-10-26/h2-8,13H,9-12,15H2,1H3