5-methyl-2-(4-nitrophenyl)-4-[1-[[1-(phenylmethyl)pyrazol-3-yl]amino]ethylidene]pyrazol-3-one

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-4-[1-[[1-(phenylmethyl)pyrazol-3-yl]amino]ethylidene]pyrazol-3-one Openeye Name: 4-[1-[(1-benzylpyrazol-3-yl)amino]ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 5-methyl-2-(4-nitrophenyl)-4-[1-[[1-(phenylmethyl)-3-pyrazolyl]amino]ethylidene]-3-pyrazolone IUPAC Name: 4-[1-[(1-benzylpyrazol-3-yl)amino]ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-[1-[(1-benzylpyrazol-3-yl)amino]ethylidene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NC2=NN(C=C2)CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)NC2=NN(C=C2)CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O3/c1-15(23-20-12-13-26(25-20)14-17-6-4-3-5-7-17)21-16(2)24-27(22(21)29)18-8-10-19(11-9-18)28(30)31/h3-13H,14H2,1-2H3,(H,23,25)