ethyl 3-(9-cyclopropyl-4-methyl-2-oxidanylidene-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)propanoate

Systemtic Name: ethyl 3-(9-cyclopropyl-4-methyl-2-oxidanylidene-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)propanoate Openeye Name: ethyl 3-(9-cyclopropyl-4-methyl-2-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)propanoate CAS Name: 3-(9-cyclopropyl-4-methyl-2-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(9-cyclopropyl-4-methyl-2-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)propanoate Traditional Name: 3-(9-cyclopropyl-2-keto-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-3-yl)propionic acid ethyl ester Formula: C20H24NO5+ MolecularWeight: 358.40826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=C(C3=C(C=C2)OC[NH+](C3)C4CC4)OC1=O)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=C(C3=C(C=C2)OC[NH+](C3)C4CC4)OC1=O)C

InChI

InChI=1S/C20H23NO5/c1-3-24-18(22)9-7-15-12(2)14-6-8-17-16(19(14)26-20(15)23)10-21(11-25-17)13-4-5-13/h6,8,13H,3-5,7,9-11H2,1-2H3/p+1