5-(4-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]-2-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: 5-(4-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 4-[(isopentylamino)methylene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 5-(4-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 5-(4-methoxyphenyl)-4-[(3-methylbutylamino)methylidene]-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-[(isoamylamino)methylene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC=C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CCNC=C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H24N4O4/c1-15(2)12-13-23-14-20-21(16-4-10-19(30-3)11-5-16)24-25(22(20)27)17-6-8-18(9-7-17)26(28)29/h4-11,14-15,23H,12-13H2,1-3H3