1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(2-morpholinoethyl)pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[2-(4-morpholinyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(2-morpholinoethyl)pyrazole-3-carboxamide Formula: C17H20ClN5O5 MolecularWeight: 409.8242

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1CCNC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H20ClN5O5/c18-14-11-13(23(25)26)1-2-16(14)28-12-22-5-3-15(20-22)17(24)19-4-6-21-7-9-27-10-8-21/h1-3,5,11H,4,6-10,12H2,(H,19,24)