9-cyclopropyl-3-(2-ethoxyphenoxy)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one

Systemtic Name: 9-cyclopropyl-3-(2-ethoxyphenoxy)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Openeye Name: 9-cyclopropyl-3-(2-ethoxyphenoxy)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one CAS Name: 9-cyclopropyl-3-(2-ethoxyphenoxy)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one IUPAC Name: 9-cyclopropyl-3-(2-ethoxyphenoxy)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Traditional Name: 9-cyclopropyl-3-(2-ethoxyphenoxy)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Formula: C22H22NO5+ MolecularWeight: 380.41378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC4=C3C[NH+](CO4)C5CC5

Isomeric SMILES

CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC4=C3C[NH+](CO4)C5CC5

InChI

InChI=1S/C22H21NO5/c1-2-25-18-5-3-4-6-19(18)28-20-12-26-22-15(21(20)24)9-10-17-16(22)11-23(13-27-17)14-7-8-14/h3-6,9-10,12,14H,2,7-8,11,13H2,1H3/p+1