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

Systemtic Name: 2-[[(3Z)-3-[(3-methylphenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]carbamoyl]benzoic acid Openeye Name: 2-[[(3Z)-3-(m-tolylmethylene)-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]carbamoyl]benzoic acid CAS Name: 2-[[[(3Z)-3-[(3-methylphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[(3Z)-3-[(3-methylphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]carbamoyl]benzoic acid Traditional Name: 2-[[(3Z)-9-keto-3-(3-methylbenzylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]carbamoyl]benzoic acid Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C2CCN3C2=NC4=C(C3=O)C=CC(=C4)NC(=O)C5=CC=CC=C5C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)/C=C\2/CCN3C2=NC4=C(C3=O)C=CC(=C4)NC(=O)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C27H21N3O4/c1-16-5-4-6-17(13-16)14-18-11-12-30-24(18)29-23-15-19(9-10-22(23)26(30)32)28-25(31)20-7-2-3-8-21(20)27(33)34/h2-10,13-15H,11-12H2,1H3,(H,28,31)(H,33,34)/b18-14-