2-[methyl-[2-nitro-4-(phenylcarbonyl)phenyl]amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[methyl-[2-nitro-4-(phenylcarbonyl)phenyl]amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(4-benzoyl-N-methyl-2-nitro-anilino)-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(4-benzoyl-N-methyl-2-nitroanilino)-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(4-benzoyl-N-methyl-2-nitroanilino)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(4-benzoyl-N-methyl-2-nitro-anilino)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C21H25N4O4+ MolecularWeight: 397.4476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(C)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(C)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c1-22-10-12-24(13-11-22)20(26)15-23(2)18-9-8-17(14-19(18)25(28)29)21(27)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3/p+1