N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[4-(3,4-diethoxybenzyl)oxyphenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C23H26N4O6 MolecularWeight: 454.47574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)OCC3=CC(=C(C=C3)OCC)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)OCC3=CC(=C(C=C3)OCC)OCC)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O6/c1-4-26-14-19(27(29)30)22(25-26)23(28)24-17-8-10-18(11-9-17)33-15-16-7-12-20(31-5-2)21(13-16)32-6-3/h7-14H,4-6,15H2,1-3H3,(H,24,28)