N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[1-[(4-ethylphenoxy)methyl]-4-pyrazolyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C17H18N6O5 MolecularWeight: 386.36202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=O)C3=C(C(=NN3)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=O)C3=C(C(=NN3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O5/c1-3-11-4-6-13(7-5-11)28-10-22-9-12(8-18-22)19-16(24)14-15(23(25)26)17(27-2)21-20-14/h4-9H,3,10H2,1-2H3,(H,19,24)(H,20,21)