3-(4-bromophenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one

Systemtic Name: 3-(4-bromophenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one Openeye Name: 3-(4-bromophenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one CAS Name: 3-(4-bromophenyl)-2,4,7,8,9,10-hexahydro[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one IUPAC Name: 3-(4-bromophenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one Traditional Name: 3-(4-bromophenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one Formula: C21H18BrNO3 MolecularWeight: 412.27652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(C4=C(C=C3)OCN(C4)C5=CC=C(C=C5)Br)OC2=O

Isomeric SMILES

C1CCC2=C(C1)C3=C(C4=C(C=C3)OCN(C4)C5=CC=C(C=C5)Br)OC2=O

InChI

InChI=1S/C21H18BrNO3/c22-13-5-7-14(8-6-13)23-11-18-19(25-12-23)10-9-16-15-3-1-2-4-17(15)21(24)26-20(16)18/h5-10H,1-4,11-12H2