(4Z)-2-(4-methoxyphenyl)-4-[1-[(2-methyl-5-nitro-phenyl)amino]ethylidene]-5-propyl-pyrazol-3-one

Systemtic Name: (4Z)-2-(4-methoxyphenyl)-4-[1-[(2-methyl-5-nitro-phenyl)amino]ethylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(4-methoxyphenyl)-4-[1-(2-methyl-5-nitro-anilino)ethylidene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(4-methoxyphenyl)-4-[1-(2-methyl-5-nitroanilino)ethylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(4-methoxyphenyl)-4-[1-(2-methyl-5-nitroanilino)ethylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(4-methoxyphenyl)-4-[1-(2-methyl-5-nitro-anilino)ethylidene]-5-propyl-2-pyrazolin-3-one Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NC2=C(C=CC(=C2)[N+](=O)[O-])C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NC2=C(C=CC(=C2)[N+](=O)[O-])C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H24N4O4/c1-5-6-19-21(15(3)23-20-13-17(26(28)29)8-7-14(20)2)22(27)25(24-19)16-9-11-18(30-4)12-10-16/h7-13,23H,5-6H2,1-4H3/b21-15-