4-(3-methoxypropyliminomethyl)-2-(4-nitrophenyl)-5-phenyl-4H-pyrazol-3-one

Systemtic Name: 4-(3-methoxypropyliminomethyl)-2-(4-nitrophenyl)-5-phenyl-4H-pyrazol-3-one Openeye Name: 4-(3-methoxypropyliminomethyl)-2-(4-nitrophenyl)-5-phenyl-4H-pyrazol-3-one CAS Name: 4-(3-methoxypropyliminomethyl)-2-(4-nitrophenyl)-5-phenyl-4H-pyrazol-3-one IUPAC Name: 4-(3-methoxypropyliminomethyl)-2-(4-nitrophenyl)-5-phenyl-4H-pyrazol-3-one Traditional Name: 4-(3-methoxypropyliminomethyl)-2-(4-nitrophenyl)-5-phenyl-2-pyrazolin-3-one Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN=CC1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

COCCCN=CC1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O4/c1-28-13-5-12-21-14-18-19(15-6-3-2-4-7-15)22-23(20(18)25)16-8-10-17(11-9-16)24(26)27/h2-4,6-11,14,18H,5,12-13H2,1H3