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

Systemtic Name: (3E)-3-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Openeye Name: (3E)-3-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one CAS Name: (3E)-3-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one IUPAC Name: (3E)-3-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Traditional Name: (3E)-3-(3-ethoxy-4-propargyloxy-benzylidene)-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2CCN3C2=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-])OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-])OCC#C

InChI

InChI=1S/C23H19N3O5/c1-3-11-31-20-8-5-15(13-21(20)30-4-2)12-16-9-10-25-22(16)24-19-7-6-17(26(28)29)14-18(19)23(25)27/h1,5-8,12-14H,4,9-11H2,2H3/b16-12+