3-[(2Z)-2-[(2E)-2-indol-3-ylideneethylidene]-4-oxidanylidene-1H-quinazolin-3-yl]benzoic acid

Systemtic Name: 3-[(2Z)-2-[(2E)-2-indol-3-ylideneethylidene]-4-oxidanylidene-1H-quinazolin-3-yl]benzoic acid Openeye Name: 3-[(2Z)-2-[(2E)-2-indol-3-ylideneethylidene]-4-oxo-1H-quinazolin-3-yl]benzoic acid CAS Name: 3-[(2Z)-2-[(2E)-2-(3-indolylidene)ethylidene]-4-oxo-1H-quinazolin-3-yl]benzoic acid IUPAC Name: 3-[(2Z)-2-[(2E)-2-indol-3-ylideneethylidene]-4-oxo-1H-quinazolin-3-yl]benzoic acid Traditional Name: 3-[(2Z)-2-[(2E)-2-indol-3-ylideneethylidene]-4-keto-1H-quinazolin-3-yl]benzoic acid Formula: C25H17N3O3 MolecularWeight: 407.42078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=CC=C3C=NC4=CC=CC=C43)N2)C5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(/C(=C\C=C/3\C=NC4=CC=CC=C43)/N2)C5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C25H17N3O3/c29-24-20-9-2-4-11-22(20)27-23(28(24)18-7-5-6-16(14-18)25(30)31)13-12-17-15-26-21-10-3-1-8-19(17)21/h1-15,27H,(H,30,31)/b17-12-,23-13-