2-[[(3Z)-9-oxidanylidene-3-(phenylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[(3Z)-9-oxidanylidene-3-(phenylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]carbamoyl]benzoic acid Openeye Name: 2-[[(3Z)-3-benzylidene-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[[(3Z)-9-oxo-3-(phenylmethylene)-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]amino]methyl]benzoic acid IUPAC Name: 2-[[(3Z)-3-benzylidene-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]carbamoyl]benzoic acid Traditional Name: 2-[[(3Z)-3-benzal-9-keto-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]carbamoyl]benzoic acid Formula: C26H19N3O4 MolecularWeight: 437.44676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=NC3=C(C2=O)C=CC(=C3)NC(=O)C4=CC=CC=C4C(=O)O)C1=CC5=CC=CC=C5

Isomeric SMILES

C\1CN2C(=NC3=C(C2=O)C=CC(=C3)NC(=O)C4=CC=CC=C4C(=O)O)/C1=C\C5=CC=CC=C5

InChI

InChI=1S/C26H19N3O4/c30-24(19-8-4-5-9-20(19)26(32)33)27-18-10-11-21-22(15-18)28-23-17(12-13-29(23)25(21)31)14-16-6-2-1-3-7-16/h1-11,14-15H,12-13H2,(H,27,30)(H,32,33)/b17-14-