N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Openeye Name: N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide CAS Name: N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Traditional Name: N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1-(4-nitrobenzyl)pyrazole-3-carboxamide Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NN(C=C1)CC2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

C/C(=N\NC(=O)C1=NN(C=C1)CC2=CC=C(C=C2)[N+](=O)[O-])/C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H21N5O5/c1-14(18-9-8-17(30-2)12-20(18)31-3)22-23-21(27)19-10-11-25(24-19)13-15-4-6-16(7-5-15)26(28)29/h4-12H,13H2,1-3H3,(H,23,27)/b22-14+