1-isoquinolin-5-yl-3-(6-nitrospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)urea

Systemtic Name: 1-isoquinolin-5-yl-3-(6-nitrospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)urea Openeye Name: 1-(5-isoquinolyl)-3-(6-nitrospiro[chromane-2,1'-cyclobutane]-4-yl)urea CAS Name: 1-(5-isoquinolinyl)-3-(6-nitro-4-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclobutane]yl)urea IUPAC Name: 1-isoquinolin-5-yl-3-(6-nitrospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)urea Traditional Name: 1-(5-isoquinolyl)-3-(6-nitrospiro[chroman-2,1'-cyclobutane]-4-yl)urea Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(C1)CC(C3=C(O2)C=CC(=C3)[N+](=O)[O-])NC(=O)NC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CC2(C1)CC(C3=C(O2)C=CC(=C3)[N+](=O)[O-])NC(=O)NC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C22H20N4O4/c27-21(24-18-4-1-3-14-13-23-10-7-16(14)18)25-19-12-22(8-2-9-22)30-20-6-5-15(26(28)29)11-17(19)20/h1,3-7,10-11,13,19H,2,8-9,12H2,(H2,24,25,27)