N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[4-(3,4-diethoxybenzyl)oxyphenyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=CC(=NN3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=CC(=NN3)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H22N4O6/c1-3-29-18-10-5-14(11-19(18)30-4-2)13-31-16-8-6-15(7-9-16)22-21(26)17-12-20(24-23-17)25(27)28/h5-12H,3-4,13H2,1-2H3,(H,22,26)(H,23,24)