4-(4-methylphenyl)carbonyl-N'-nitro-piperazine-1-carboximidamide

Systemtic Name: 4-(4-methylphenyl)carbonyl-N'-nitro-piperazine-1-carboximidamide Openeye Name: 4-(4-methylbenzoyl)-N'-nitro-piperazine-1-carboxamidine CAS Name: 4-[(4-methylphenyl)-oxomethyl]-N'-nitro-1-piperazinecarboximidamide IUPAC Name: 4-(4-methylbenzoyl)-N'-nitropiperazine-1-carboximidamide Traditional Name: N'-nitro-4-p-toluoyl-piperazine-1-carboxamidine Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O3/c1-10-2-4-11(5-3-10)12(19)16-6-8-17(9-7-16)13(14)15-18(20)21/h2-5H,6-9H2,1H3,(H2,14,15)