4-[1-(3-methoxypropylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: 4-[1-(3-methoxypropylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 4-[1-(3-methoxypropylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 4-[1-(3-methoxypropylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 4-[1-(3-methoxypropylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-[1-(3-methoxypropylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCCCOC)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)NCCCOC)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4/c1-11(17-9-4-10-24-3)15-12(2)18-19(16(15)21)13-5-7-14(8-6-13)20(22)23/h5-8,17H,4,9-10H2,1-3H3