2-(4-nitrophenyl)-4-[(phenethylamino)methylidene]-5-propyl-pyrazol-3-one

Systemtic Name: 2-(4-nitrophenyl)-4-[(phenethylamino)methylidene]-5-propyl-pyrazol-3-one Openeye Name: 2-(4-nitrophenyl)-4-[(phenethylamino)methylene]-5-propyl-pyrazol-3-one CAS Name: 2-(4-nitrophenyl)-4-[(phenethylamino)methylidene]-5-propyl-3-pyrazolone IUPAC Name: 2-(4-nitrophenyl)-4-[(phenethylamino)methylidene]-5-propylpyrazol-3-one Traditional Name: 2-(4-nitrophenyl)-4-[(phenethylamino)methylene]-5-propyl-2-pyrazolin-3-one Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNCCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-2-6-20-19(15-22-14-13-16-7-4-3-5-8-16)21(26)24(23-20)17-9-11-18(12-10-17)25(27)28/h3-5,7-12,15,22H,2,6,13-14H2,1H3