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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-nitro-N-veratryl-1H-pyrazole-5-carboxamide Formula: C13H14N4O5 MolecularWeight: 306.27406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O5/c1-21-10-4-3-8(5-11(10)22-2)6-14-13(18)12-9(17(19)20)7-15-16-12/h3-5,7H,6H2,1-2H3,(H,14,18)(H,15,16)