2-[2-acetamido-1,3-bis(ethoxycarbonyloxy)azulen-6-yl]ethanoic acid

Systemtic Name: 2-[2-acetamido-1,3-bis(ethoxycarbonyloxy)azulen-6-yl]ethanoic acid Openeye Name: 2-[2-acetamido-1,3-bis(ethoxycarbonyloxy)azulen-6-yl]acetic acid CAS Name: 2-[2-acetamido-1,3-bis(ethoxycarbonyloxy)-6-azulenyl]acetic acid IUPAC Name: 2-[2-acetamido-1,3-bis(ethoxycarbonyloxy)azulen-6-yl]acetic acid Traditional Name: 2-(2-acetamido-1,3-dicarbethoxyoxy-azulen-6-yl)acetic acid Formula: C20H21NO9 MolecularWeight: 419.38204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C2C=CC(=CC=C2C(=C1NC(=O)C)OC(=O)OCC)CC(=O)O

Isomeric SMILES

CCOC(=O)OC1=C2C=CC(=CC=C2C(=C1NC(=O)C)OC(=O)OCC)CC(=O)O

InChI

InChI=1S/C20H21NO9/c1-4-27-19(25)29-17-13-8-6-12(10-15(23)24)7-9-14(13)18(16(17)21-11(3)22)30-20(26)28-5-2/h6-9H,4-5,10H2,1-3H3,(H,21,22)(H,23,24)