3-[3-(2-cyanoethyl)-4-oxidanylidene-spiro[3H-chromene-2,1'-cyclopentane]-7-yl]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 3-[3-(2-cyanoethyl)-4-oxidanylidene-spiro[3H-chromene-2,1'-cyclopentane]-7-yl]-N-oxidanyl-benzeneamine oxide Openeye Name: 3-[3-(2-cyanoethyl)-4-oxo-spiro[chromane-2,1'-cyclopentane]-7-yl]-N-hydroxy-benzeneamine oxide CAS Name: 3-[3-(2-cyanoethyl)-4-oxo-7-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclopentane]yl]-N-hydroxybenzeneamine oxide IUPAC Name: 3-[3-(2-cyanoethyl)-4-oxospiro[3H-chromene-2,1'-cyclopentane]-7-yl]-N-hydroxybenzeneamine oxide Traditional Name: 3-[3-(2-cyanoethyl)-4-keto-spiro[chroman-2,1'-cyclopentane]-7-yl]-N-hydroxy-benzeneamine oxide Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(C(=O)C3=C(O2)C=C(C=C3)C4=CC(=CC=C4)[NH+](O)[O-])CCC#N

Isomeric SMILES

C1CCC2(C1)C(C(=O)C3=C(O2)C=C(C=C3)C4=CC(=CC=C4)[NH+](O)[O-])CCC#N

InChI

InChI=1S/C22H22N2O4/c23-12-4-7-19-21(25)18-9-8-16(15-5-3-6-17(13-15)24(26)27)14-20(18)28-22(19)10-1-2-11-22/h3,5-6,8-9,13-14,19,24,26H,1-2,4,7,10-11H2