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

Systemtic Name: 4-[(cyclopentylamino)methylidene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 4-[(cyclopentylamino)methylene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 4-[(cyclopentylamino)methylidene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 4-[(cyclopentylamino)methylidene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-[(cyclopentylamino)methylene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C2=CNC3CCCC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C2=CNC3CCCC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4/c1-30-19-12-6-15(7-13-19)21-20(14-23-16-4-2-3-5-16)22(27)25(24-21)17-8-10-18(11-9-17)26(28)29/h6-14,16,23H,2-5H2,1H3