3-[(4Z)-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[(1,3-dimethyl-2-oxo-benzimidazol-5-yl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-5-keto-4-[(2-keto-1,3-dimethyl-benzimidazol-5-yl)methylene]-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC3=C(C=C2)N(C(=O)N3C)C)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC3=C(C=C2)N(C(=O)N3C)C)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H18N4O4/c1-12-16(9-13-7-8-17-18(10-13)24(3)21(29)23(17)2)19(26)25(22-12)15-6-4-5-14(11-15)20(27)28/h4-11H,1-3H3,(H,27,28)/b16-9-