2-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 2-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 2-ethyl-N-[3-(morpholinomethyl)phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 2-ethyl-N-[3-(4-morpholinylmethyl)phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 2-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 2-ethyl-N-[3-(morpholinomethyl)phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)CN3CCOCC3

Isomeric SMILES

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)CN3CCOCC3

InChI

InChI=1S/C17H21N5O4/c1-2-21-16(15(11-18-21)22(24)25)17(23)19-14-5-3-4-13(10-14)12-20-6-8-26-9-7-20/h3-5,10-11H,2,6-9,12H2,1H3,(H,19,23)