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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC3=C(C4=C(C=C3)OC[NH+](C4)C5CC5)OC2=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC3=C(C4=C(C=C3)OC[NH+](C4)C5CC5)OC2=O)OC

InChI

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