1-[(4-nitrophenyl)methyl]-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-nitrophenyl)methyl]-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrazole-3-carboxamide Openeye Name: N-[(E)-(4-isopropylphenyl)methyleneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide CAS Name: 1-[(4-nitrophenyl)methyl]-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-nitrophenyl)methyl]-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrazole-3-carboxamide Traditional Name: N-[(E)-(4-isopropylbenzylidene)amino]-1-(4-nitrobenzyl)pyrazole-3-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=NNC(=O)C2=NN(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=NN(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3/c1-15(2)18-7-3-16(4-8-18)13-22-23-21(27)20-11-12-25(24-20)14-17-5-9-19(10-6-17)26(28)29/h3-13,15H,14H2,1-2H3,(H,23,27)/b22-13+