4-[1-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: 4-[1-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 4-[1-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 4-[1-[(4,6-dimethoxy-2-pyrimidinyl)amino]ethylidene]-5-methyl-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 4-[1-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-[1-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylidene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C18H18N6O5 MolecularWeight: 398.37272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NC2=NC(=CC(=N2)OC)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)NC2=NC(=CC(=N2)OC)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O5/c1-10(19-18-20-14(28-3)9-15(21-18)29-4)16-11(2)22-23(17(16)25)12-5-7-13(8-6-12)24(26)27/h5-9H,1-4H3,(H,19,20,21)