[4-isocyano-1-methyl-5-oxidanyl-3-(propanoylamino)pyrrol-2-yl] N,N-dimethylcarbamate

Systemtic Name: [4-isocyano-1-methyl-5-oxidanyl-3-(propanoylamino)pyrrol-2-yl] N,N-dimethylcarbamate Openeye Name: [5-hydroxy-4-isocyano-1-methyl-3-(propanoylamino)pyrrol-2-yl] N,N-dimethylcarbamate CAS Name: N,N-dimethylcarbamic acid [5-hydroxy-4-isocyano-1-methyl-3-(1-oxopropylamino)-2-pyrrolyl] ester IUPAC Name: [5-hydroxy-4-isocyano-1-methyl-3-(propanoylamino)pyrrol-2-yl] N,N-dimethylcarbamate Traditional Name: N,N-dimethylcarbamic acid (5-hydroxy-4-isocyano-1-methyl-3-propionamido-pyrrol-2-yl) ester Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(N(C(=C1[N+]#[C-])O)C)OC(=O)N(C)C

Isomeric SMILES

CCC(=O)NC1=C(N(C(=C1[N+]#[C-])O)C)OC(=O)N(C)C

InChI

InChI=1S/C12H16N4O4/c1-6-7(17)14-9-8(13-2)10(18)16(5)11(9)20-12(19)15(3)4/h18H,6H2,1,3-5H3,(H,14,17)