methyl 4-[2,5-bis(oxidanylidene)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoate

Systemtic Name: methyl 4-[2,5-bis(oxidanylidene)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoate Openeye Name: methyl 4-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)butanoate CAS Name: 4-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)butanoic acid methyl ester IUPAC Name: methyl 4-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)butanoate Traditional Name: 4-(2,5-diketo-3,3a,6,6a-tetrahydro-1H-imidaz[4,5-d]imidazol-4-yl)butyric acid methyl ester Formula: C9H14N4O4 MolecularWeight: 242.23186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C2C(NC(=O)N2)NC1=O

Isomeric SMILES

COC(=O)CCCN1C2C(NC(=O)N2)NC1=O

InChI

InChI=1S/C9H14N4O4/c1-17-5(14)3-2-4-13-7-6(11-9(13)16)10-8(15)12-7/h6-7H,2-4H2,1H3,(H,11,16)(H2,10,12,15)