4-(4-methyl-3-nitro-phenyl)carbonyl-N'-nitro-piperazine-1-carboximidamide

Systemtic Name: 4-(4-methyl-3-nitro-phenyl)carbonyl-N'-nitro-piperazine-1-carboximidamide Openeye Name: 4-(4-methyl-3-nitro-benzoyl)-N'-nitro-piperazine-1-carboxamidine CAS Name: 4-[(4-methyl-3-nitrophenyl)-oxomethyl]-N'-nitro-1-piperazinecarboximidamide IUPAC Name: 4-(4-methyl-3-nitrobenzoyl)-N'-nitropiperazine-1-carboximidamide Traditional Name: 4-(4-methyl-3-nitro-benzoyl)-N'-nitro-piperazine-1-carboxamidine Formula: C13H16N6O5 MolecularWeight: 336.30334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=N[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)/C(=N\[N+](=O)[O-])/N)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O5/c1-9-2-3-10(8-11(9)18(21)22)12(20)16-4-6-17(7-5-16)13(14)15-19(23)24/h2-3,8H,4-7H2,1H3,(H2,14,15)