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

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(3,4-diethoxybenzyl)-4-nitro-1H-pyrazole-5-carboxamide Formula: C15H18N4O5 MolecularWeight: 334.32722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=C(C=NN2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=C(C=NN2)[N+](=O)[O-])OCC

InChI

InChI=1S/C15H18N4O5/c1-3-23-12-6-5-10(7-13(12)24-4-2)8-16-15(20)14-11(19(21)22)9-17-18-14/h5-7,9H,3-4,8H2,1-2H3,(H,16,20)(H,17,18)