ethyl (2E)-3-[2-chloranyl-1,3-bis(ethoxycarbonyloxy)azulen-6-yl]-2-hydroxyimino-propanoate

Systemtic Name: ethyl (2E)-3-[2-chloranyl-1,3-bis(ethoxycarbonyloxy)azulen-6-yl]-2-hydroxyimino-propanoate Openeye Name: ethyl (2E)-3-[2-chloro-1,3-bis(ethoxycarbonyloxy)azulen-6-yl]-2-hydroxyimino-propanoate CAS Name: (2E)-3-[2-chloro-1,3-bis(ethoxycarbonyloxy)-6-azulenyl]-2-hydroxyiminopropanoic acid ethyl ester IUPAC Name: ethyl (2E)-3-[2-chloro-1,3-bis(ethoxycarbonyloxy)azulen-6-yl]-2-hydroxyiminopropanoate Traditional Name: (2E)-3-(1,3-dicarbethoxyoxy-2-chloro-azulen-6-yl)-2-hydroximino-propionic acid ethyl ester Formula: C21H22ClNO9 MolecularWeight: 467.85368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NO)CC1=CC=C2C(=C(C(=C2OC(=O)OCC)Cl)OC(=O)OCC)C=C1

Isomeric SMILES

CCOC(=O)/C(=N/O)/CC1=CC=C2C(=C(C(=C2OC(=O)OCC)Cl)OC(=O)OCC)C=C1

InChI

InChI=1S/C21H22ClNO9/c1-4-28-19(24)15(23-27)11-12-7-9-13-14(10-8-12)18(32-21(26)30-6-3)16(22)17(13)31-20(25)29-5-2/h7-10,27H,4-6,11H2,1-3H3/b23-15+