N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[1-[(3,4-diethoxyphenyl)methyl]-4-pyrazolyl]-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[1-(3,4-diethoxybenzyl)pyrazol-4-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C20H24N6O5 MolecularWeight: 428.44176

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CN(N=C2)CC3=CC(=C(C=C3)OCC)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CN(N=C2)CC3=CC(=C(C=C3)OCC)OCC)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O5/c1-4-24-13-16(26(28)29)19(23-24)20(27)22-15-10-21-25(12-15)11-14-7-8-17(30-5-2)18(9-14)31-6-3/h7-10,12-13H,4-6,11H2,1-3H3,(H,22,27)