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

Systemtic Name: [2-acetamido-6-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-3-pentyl-azulen-1-yl] ethyl carbonate Openeye Name: [2-acetamido-6-[2-(hydroxyamino)-2-oxo-ethyl]-3-pentyl-azulen-1-yl] ethyl carbonate CAS Name: carbonic acid [2-acetamido-6-[2-(hydroxyamino)-2-oxoethyl]-3-pentyl-1-azulenyl] ethyl ester IUPAC Name: [2-acetamido-6-[2-(hydroxyamino)-2-oxoethyl]-3-pentylazulen-1-yl] ethyl carbonate Traditional Name: carbonic acid [2-acetamido-3-amyl-6-[2-(hydroxyamino)-2-keto-ethyl]azulen-1-yl] ethyl ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C=CC(=CC=C2C(=C1NC(=O)C)OC(=O)OCC)CC(=O)NO

Isomeric SMILES

CCCCCC1=C2C=CC(=CC=C2C(=C1NC(=O)C)OC(=O)OCC)CC(=O)NO

InChI

InChI=1S/C22H28N2O6/c1-4-6-7-8-17-16-11-9-15(13-19(26)24-28)10-12-18(16)21(20(17)23-14(3)25)30-22(27)29-5-2/h9-12,28H,4-8,13H2,1-3H3,(H,23,25)(H,24,26)