3-[(4Z)-4-[[3-bromanyl-4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-4-[[3-bromanyl-4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[[3-bromo-4-(dimethylamino)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-[3-bromo-4-(dimethylamino)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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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=CC(=C3)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2)N(C)C)Br)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H18BrN3O3/c1-12-16(9-13-7-8-18(23(2)3)17(21)10-13)19(25)24(22-12)15-6-4-5-14(11-15)20(26)27/h4-11H,1-3H3,(H,26,27)/b16-9-