4-(butylaminomethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: 4-(butylaminomethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 4-(butylaminomethylene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 4-(butylaminomethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 4-(butylaminomethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-(butylaminomethylene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-3-4-13-22-14-19-20(15-5-11-18(29-2)12-6-15)23-24(21(19)26)16-7-9-17(10-8-16)25(27)28/h5-12,14,22H,3-4,13H2,1-2H3