N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-homoveratryl-4-nitro-1H-pyrazole-5-carboxamide Formula: C14H16N4O5 MolecularWeight: 320.30064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C(C=NN2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(C=NN2)[N+](=O)[O-])OC

InChI

InChI=1S/C14H16N4O5/c1-22-11-4-3-9(7-12(11)23-2)5-6-15-14(19)13-10(18(20)21)8-16-17-13/h3-4,7-8H,5-6H2,1-2H3,(H,15,19)(H,16,17)