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

Systemtic Name: (3E)-3-[(4-nitrophenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-[(4-nitrophenyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-[(4-nitrophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-[(4-nitrophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-9-keto-3-(4-nitrobenzylidene)-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C19H12N3O5- MolecularWeight: 362.31568

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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O5/c23-18-15-6-3-13(19(24)25)10-16(15)20-17-12(7-8-21(17)18)9-11-1-4-14(5-2-11)22(26)27/h1-6,9-10H,7-8H2,(H,24,25)/p-1/b12-9+