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

Systemtic Name: 2-[2-azanyl-1,3-bis(ethoxycarbonyloxy)azulen-6-yl]ethanoic acid Openeye Name: 2-[2-amino-1,3-bis(ethoxycarbonyloxy)azulen-6-yl]acetic acid CAS Name: 2-[2-amino-1,3-bis(ethoxycarbonyloxy)-6-azulenyl]acetic acid IUPAC Name: 2-[2-amino-1,3-bis(ethoxycarbonyloxy)azulen-6-yl]acetic acid Traditional Name: 2-(2-amino-1,3-dicarbethoxyoxy-azulen-6-yl)acetic acid Formula: C18H19NO8 MolecularWeight: 377.34536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C2C=CC(=CC=C2C(=C1N)OC(=O)OCC)CC(=O)O

Isomeric SMILES

CCOC(=O)OC1=C2C=CC(=CC=C2C(=C1N)OC(=O)OCC)CC(=O)O

InChI

InChI=1S/C18H19NO8/c1-3-24-17(22)26-15-11-7-5-10(9-13(20)21)6-8-12(11)16(14(15)19)27-18(23)25-4-2/h5-8H,3-4,9,19H2,1-2H3,(H,20,21)