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

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-[4-(diethylamino)phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[4-(diethylamino)phenyl]pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[4-(diethylamino)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[4-(diethylamino)phenyl]pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[4-(diethylamino)phenyl]pyrazole-3-carboxamide Formula: C21H22ClN5O4 MolecularWeight: 443.88348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H22ClN5O4/c1-3-25(4-2)16-7-5-15(6-8-16)23-21(28)19-11-12-26(24-19)14-31-20-10-9-17(27(29)30)13-18(20)22/h5-13H,3-4,14H2,1-2H3,(H,23,28)