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

Systemtic Name: 4-[1-[2-(4-methoxyphenyl)ethylamino]ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 4-[1-[2-(4-methoxyphenyl)ethylamino]ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 4-[1-[2-(4-methoxyphenyl)ethylamino]ethylidene]-5-methyl-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 4-[1-[2-(4-methoxyphenyl)ethylamino]ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-[1-[2-(4-methoxyphenyl)ethylamino]ethylidene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCCC2=CC=C(C=C2)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)NCCC2=CC=C(C=C2)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-14(22-13-12-16-4-10-19(29-3)11-5-16)20-15(2)23-24(21(20)26)17-6-8-18(9-7-17)25(27)28/h4-11,22H,12-13H2,1-3H3