(4E)-5-methyl-2-(4-nitrophenyl)-4-[(2-pyridin-2-ylethylamino)methylidene]pyrazol-3-one

Systemtic Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-[(2-pyridin-2-ylethylamino)methylidene]pyrazol-3-one Openeye Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-[[2-(2-pyridyl)ethylamino]methylene]pyrazol-3-one CAS Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-[[2-(2-pyridinyl)ethylamino]methylidene]-3-pyrazolone IUPAC Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-[(2-pyridin-2-ylethylamino)methylidene]pyrazol-3-one Traditional Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-[[2-(2-pyridyl)ethylamino]methylene]-2-pyrazolin-3-one Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCCC2=CC=CC=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NCCC2=CC=CC=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3/c1-13-17(12-19-11-9-14-4-2-3-10-20-14)18(24)22(21-13)15-5-7-16(8-6-15)23(25)26/h2-8,10,12,19H,9,11H2,1H3/b17-12+