dimethyl 6a-azanyl-3a-cyano-1,6-bis(methoxycarbonylamino)-2,5-dimethyl-pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 6a-azanyl-3a-cyano-1,6-bis(methoxycarbonylamino)-2,5-dimethyl-pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 6a-amino-3a-cyano-1,6-bis(methoxycarbonylamino)-2,5-dimethyl-pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate CAS Name: 6a-amino-3a-cyano-1,6-bis(methoxycarbonylamino)-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 6a-amino-3a-cyano-1,6-bis(methoxycarbonylamino)-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylate Traditional Name: 6a-amino-1,6-bis(carbomethoxyamino)-3a-cyano-2,5-dimethyl-pyrrolo[2,3-b]pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C17H22N6O8 MolecularWeight: 438.39198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2(C(=C(N(C2(N1NC(=O)OC)N)NC(=O)OC)C)C(=O)OC)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C2(C(=C(N(C2(N1NC(=O)OC)N)NC(=O)OC)C)C(=O)OC)C#N)C(=O)OC

InChI

InChI=1S/C17H22N6O8/c1-8-10(12(24)28-3)16(7-18)11(13(25)29-4)9(2)23(21-15(27)31-6)17(16,19)22(8)20-14(26)30-5/h19H2,1-6H3,(H,20,26)(H,21,27)