(3E)-3-[(4-carboxylatophenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (3E)-3-[(4-carboxylatophenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-[(4-carboxylatophenyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-[(4-carboxylatophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-[(4-carboxylatophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-3-(4-carboxylatobenzylidene)-9-keto-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C20H12N2O5-2 MolecularWeight: 360.31968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)[O-])C1=CC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C\1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)[O-])/C1=C/C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C20H14N2O5/c23-18-15-6-5-14(20(26)27)10-16(15)21-17-13(7-8-22(17)18)9-11-1-3-12(4-2-11)19(24)25/h1-6,9-10H,7-8H2,(H,24,25)(H,26,27)/p-2/b13-9+