[3-(1-ethanoylpyrazol-3-yl)-6-ethyl-4-oxidanylidene-4a,5,6,7,8,8a-hexahydrochromen-7-yl] ethanoate

Systemtic Name: [3-(1-ethanoylpyrazol-3-yl)-6-ethyl-4-oxidanylidene-4a,5,6,7,8,8a-hexahydrochromen-7-yl] ethanoate Openeye Name: [3-(1-acetylpyrazol-3-yl)-6-ethyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] acetate CAS Name: acetic acid [3-(1-acetyl-3-pyrazolyl)-6-ethyl-4-oxo-4a,5,6,7,8,8a-hexahydro-1-benzopyran-7-yl] ester IUPAC Name: [3-(1-acetylpyrazol-3-yl)-6-ethyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] acetate Traditional Name: acetic acid [3-(1-acetylpyrazol-3-yl)-6-ethyl-4-keto-4a,5,6,7,8,8a-hexahydrochromen-7-yl] ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2C(CC1OC(=O)C)OC=C(C2=O)C3=NN(C=C3)C(=O)C

Isomeric SMILES

CCC1CC2C(CC1OC(=O)C)OC=C(C2=O)C3=NN(C=C3)C(=O)C

InChI

InChI=1S/C18H22N2O5/c1-4-12-7-13-17(8-16(12)25-11(3)22)24-9-14(18(13)23)15-5-6-20(19-15)10(2)21/h5-6,9,12-13,16-17H,4,7-8H2,1-3H3