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

Systemtic Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[4-(3,4-diethoxybenzyl)oxyphenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C)OCC

InChI

InChI=1S/C22H24N4O6/c1-4-30-19-11-6-15(12-20(19)31-5-2)14-32-17-9-7-16(8-10-17)23-22(27)21-18(26(28)29)13-25(3)24-21/h6-13H,4-5,14H2,1-3H3,(H,23,27)