ethyl [3-(3-methylbutyl)-6-[2-(oxidanylamino)-2-oxidanylidene-ethyl]azulen-1-yl] carbonate

Systemtic Name: ethyl [3-(3-methylbutyl)-6-[2-(oxidanylamino)-2-oxidanylidene-ethyl]azulen-1-yl] carbonate Openeye Name: ethyl [6-[2-(hydroxyamino)-2-oxo-ethyl]-3-isopentyl-azulen-1-yl] carbonate CAS Name: carbonic acid ethyl [6-[2-(hydroxyamino)-2-oxoethyl]-3-(3-methylbutyl)-1-azulenyl] ester IUPAC Name: ethyl [6-[2-(hydroxyamino)-2-oxoethyl]-3-(3-methylbutyl)azulen-1-yl] carbonate Traditional Name: carbonic acid ethyl [6-[2-(hydroxyamino)-2-keto-ethyl]-3-isoamyl-azulen-1-yl] ester Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=CC(=C2C1=CC=C(C=C2)CC(=O)NO)CCC(C)C

Isomeric SMILES

CCOC(=O)OC1=CC(=C2C1=CC=C(C=C2)CC(=O)NO)CCC(C)C

InChI

InChI=1S/C20H25NO5/c1-4-25-20(23)26-18-12-15(8-5-13(2)3)16-9-6-14(7-10-17(16)18)11-19(22)21-24/h6-7,9-10,12-13,24H,4-5,8,11H2,1-3H3,(H,21,22)