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

Systemtic Name: (3E)-3-[(3-methoxy-2-propan-2-yloxy-phenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Openeye Name: (3E)-3-[(2-isopropoxy-3-methoxy-phenyl)methylene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one CAS Name: (3E)-3-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one IUPAC Name: (3E)-3-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Traditional Name: (3E)-3-(2-isopropoxy-3-methoxy-benzylidene)-7-nitro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC=C1OC)C=C2CCN3C2=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C(C=CC=C1OC)/C=C/2\CCN3C2=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5/c1-13(2)30-20-14(5-4-6-19(20)29-3)11-15-9-10-24-21(15)23-18-8-7-16(25(27)28)12-17(18)22(24)26/h4-8,11-13H,9-10H2,1-3H3/b15-11+