(6-nitro-1,3-benzodioxol-5-yl)methyl 1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxylate

Systemtic Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxylate Openeye Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxylate CAS Name: 1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxylic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxylate Traditional Name: 1-keto-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxylic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester Formula: C22H22N4O7 MolecularWeight: 454.43268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)C(=O)OCC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)C(=O)OCC4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C22H22N4O7/c27-20-22(25(13-23-20)16-4-2-1-3-5-16)6-8-24(9-7-22)21(28)31-12-15-10-18-19(33-14-32-18)11-17(15)26(29)30/h1-5,10-11H,6-9,12-14H2,(H,23,27)