5-[(4Z)-4-[[3-bromanyl-4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-2-chloranyl-benzoate

Systemtic Name: 5-[(4Z)-4-[[3-bromanyl-4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-2-chloranyl-benzoate Openeye Name: 5-[(4Z)-4-[[3-bromo-4-(dimethylamino)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]-2-chloro-benzoate CAS Name: 5-[(4Z)-4-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]-2-chlorobenzoate IUPAC Name: 5-[(4Z)-4-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]-2-chlorobenzoate Traditional Name: 5-[(4Z)-4-[3-bromo-4-(dimethylamino)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]-2-chloro-benzoate Formula: C20H16BrClN3O3- MolecularWeight: 461.71634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)N(C)C)Br)C3=CC(=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2)N(C)C)Br)C3=CC(=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C20H17BrClN3O3/c1-11-14(8-12-4-7-18(24(2)3)16(21)9-12)19(26)25(23-11)13-5-6-17(22)15(10-13)20(27)28/h4-10H,1-3H3,(H,27,28)/p-1/b14-8-