(4E)-5-methyl-2-(4-nitrophenyl)-4-[1-(oxolan-2-ylmethylamino)ethylidene]pyrazol-3-one

Systemtic Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-[1-(oxolan-2-ylmethylamino)ethylidene]pyrazol-3-one Openeye Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-[1-(tetrahydrofuran-2-ylmethylamino)ethylidene]pyrazol-3-one CAS Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-[1-(2-oxolanylmethylamino)ethylidene]-3-pyrazolone IUPAC Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-[1-(oxolan-2-ylmethylamino)ethylidene]pyrazol-3-one Traditional Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-[1-(tetrahydrofurfurylamino)ethylidene]-2-pyrazolin-3-one Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCC2CCCO2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(\C)/NCC2CCCO2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4/c1-11(18-10-15-4-3-9-25-15)16-12(2)19-20(17(16)22)13-5-7-14(8-6-13)21(23)24/h5-8,15,18H,3-4,9-10H2,1-2H3/b16-11+