(4Z)-2-(3-chlorophenyl)-5-methyl-4-[(4-morpholin-4-yl-3-nitro-phenyl)methylidene]pyrazol-3-one

Systemtic Name: (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(4-morpholin-4-yl-3-nitro-phenyl)methylidene]pyrazol-3-one Openeye Name: (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(4-morpholino-3-nitro-phenyl)methylene]pyrazol-3-one CAS Name: (4Z)-2-(3-chlorophenyl)-5-methyl-4-[[4-(4-morpholinyl)-3-nitrophenyl]methylidene]-3-pyrazolone IUPAC Name: (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]pyrazol-3-one Traditional Name: (4Z)-2-(3-chlorophenyl)-5-methyl-4-(4-morpholino-3-nitro-benzylidene)-2-pyrazolin-3-one Formula: C21H19ClN4O4 MolecularWeight: 426.85296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C4=CC(=CC=C4)Cl

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H19ClN4O4/c1-14-18(21(27)25(23-14)17-4-2-3-16(22)13-17)11-15-5-6-19(20(12-15)26(28)29)24-7-9-30-10-8-24/h2-6,11-13H,7-10H2,1H3/b18-11-