ethyl 3-(aminocarbonylamino)-2-[2-azanyl-1,3-bis(ethoxycarbonyloxy)azulen-6-yl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(aminocarbonylamino)-2-[2-azanyl-1,3-bis(ethoxycarbonyloxy)azulen-6-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 2-[2-amino-1,3-bis(ethoxycarbonyloxy)azulen-6-yl]-3-oxo-3-ureido-propanoate CAS Name: 2-[2-amino-1,3-bis(ethoxycarbonyloxy)-6-azulenyl]-3-(carbamoylamino)-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-1,3-bis(ethoxycarbonyloxy)azulen-6-yl]-3-(carbamoylamino)-3-oxopropanoate Traditional Name: 2-(2-amino-1,3-dicarbethoxyoxy-azulen-6-yl)-3-keto-3-ureido-propionic acid ethyl ester Formula: C22H25N3O10 MolecularWeight: 491.448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C2C(=C(C(=C2OC(=O)OCC)N)OC(=O)OCC)C=C1)C(=O)NC(=O)N

Isomeric SMILES

CCOC(=O)C(C1=CC=C2C(=C(C(=C2OC(=O)OCC)N)OC(=O)OCC)C=C1)C(=O)NC(=O)N

InChI

InChI=1S/C22H25N3O10/c1-4-31-19(27)14(18(26)25-20(24)28)11-7-9-12-13(10-8-11)17(35-22(30)33-6-3)15(23)16(12)34-21(29)32-5-2/h7-10,14H,4-6,23H2,1-3H3,(H3,24,25,26,28)