methyl 2,4-dimethyl-5-(3-oxidanylidenepiperazin-1-yl)carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-(3-oxidanylidenepiperazin-1-yl)carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-(3-oxopiperazine-1-carbonyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-(3-oxo-1-piperazinyl)methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-(3-oxopiperazine-1-carbonyl)-1H-pyrrole-3-carboxylate Traditional Name: 5-(3-ketopiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCNC(=O)C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCNC(=O)C2

InChI

InChI=1S/C13H17N3O4/c1-7-10(13(19)20-3)8(2)15-11(7)12(18)16-5-4-14-9(17)6-16/h15H,4-6H2,1-3H3,(H,14,17)