(3E)-3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid

Systemtic Name: (3E)-3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid Openeye Name: (3E)-3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid CAS Name: (3E)-3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid IUPAC Name: (3E)-3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid Traditional Name: (3E)-3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylene]-9-keto-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid Formula: C23H17ClN4O3 MolecularWeight: 432.85908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C2CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)O)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)O)Cl)C5=CC=CC=C5

InChI

InChI=1S/C23H17ClN4O3/c1-13-18(20(24)28(26-13)16-5-3-2-4-6-16)11-14-9-10-27-21(14)25-19-12-15(23(30)31)7-8-17(19)22(27)29/h2-8,11-12H,9-10H2,1H3,(H,30,31)/b14-11+