(3E)-3-[(3-butoxy-4-methoxy-phenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

Systemtic Name: (3E)-3-[(3-butoxy-4-methoxy-phenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Openeye Name: (3E)-3-[(3-butoxy-4-methoxy-phenyl)methylene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one CAS Name: (3E)-3-[(3-butoxy-4-methoxyphenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one IUPAC Name: (3E)-3-[(3-butoxy-4-methoxyphenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Traditional Name: (3E)-3-(3-butoxy-4-methoxy-benzylidene)-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C=C2CCN3C2=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H23N3O5/c1-3-4-11-31-21-13-15(5-8-20(21)30-2)12-16-9-10-25-22(16)24-19-7-6-17(26(28)29)14-18(19)23(25)27/h5-8,12-14H,3-4,9-11H2,1-2H3/b16-12+