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

Systemtic Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[1-[(3,4-diethoxyphenyl)methyl]-4-pyrazolyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[1-(3,4-diethoxybenzyl)pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C18H20N6O5 MolecularWeight: 400.3886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)C3=C(C=NN3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)C3=C(C=NN3)[N+](=O)[O-])OCC

InChI

InChI=1S/C18H20N6O5/c1-3-28-15-6-5-12(7-16(15)29-4-2)10-23-11-13(8-20-23)21-18(25)17-14(24(26)27)9-19-22-17/h5-9,11H,3-4,10H2,1-2H3,(H,19,22)(H,21,25)