[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-morpholin-4-yl-methanone

Systemtic Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-morpholin-4-yl-methanone Openeye Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-morpholino-methanone CAS Name: [4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-(4-morpholinyl)methanone IUPAC Name: [4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone Traditional Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-morpholino-methanone Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCOCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCOCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4/c1-12-16(21(23)24)13(2)20(18-12)11-14-3-5-15(6-4-14)17(22)19-7-9-25-10-8-19/h3-6H,7-11H2,1-2H3