3-methyl-3-(4-nitrophenyl)oxiran-2-one; 1-pyrrolidin-1-ylcarbonylpiperazine-2-carboximidamide

Systemtic Name: 3-methyl-3-(4-nitrophenyl)oxiran-2-one; 1-pyrrolidin-1-ylcarbonylpiperazine-2-carboximidamide Openeye Name: 3-methyl-3-(4-nitrophenyl)oxiran-2-one; 1-(pyrrolidine-1-carbonyl)piperazine-2-carboxamidine CAS Name: 3-methyl-3-(4-nitrophenyl)-2-oxiranone; 1-[oxo(1-pyrrolidinyl)methyl]-2-piperazinecarboximidamide IUPAC Name: 3-methyl-3-(4-nitrophenyl)oxiran-2-one; 1-(pyrrolidine-1-carbonyl)piperazine-2-carboximidamide Traditional Name: 3-methyl-3-(4-nitrophenyl)oxiran-2-one; 1-(pyrrolidine-1-carbonyl)piperazine-2-carboxamidine Formula: C19H26N6O5 MolecularWeight: 418.44694

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)O1)C2=CC=C(C=C2)[N+](=O)[O-].C1CCN(C1)C(=O)N2CCNCC2C(=N)N

Isomeric SMILES

CC1(C(=O)O1)C2=CC=C(C=C2)[N+](=O)[O-].C1CCN(C1)C(=O)N2CCNCC2C(=N)N

InChI

InChI=1S/C10H19N5O.C9H7NO4/c11-9(12)8-7-13-3-6-15(8)10(16)14-4-1-2-5-14;1-9(8(11)14-9)6-2-4-7(5-3-6)10(12)13/h8,13H,1-7H2,(H3,11,12);2-5H,1H3