(2-methyl-3,5-dinitro-phenyl)-(4-methylpiperazin-1-yl)methanone hydrochloride

Systemtic Name: (2-methyl-3,5-dinitro-phenyl)-(4-methylpiperazin-1-yl)methanone hydrochloride Openeye Name: (2-methyl-3,5-dinitro-phenyl)-(4-methylpiperazin-1-yl)methanone hydrochloride CAS Name: (2-methyl-3,5-dinitrophenyl)-(4-methyl-1-piperazinyl)methanone hydrochloride IUPAC Name: (2-methyl-3,5-dinitrophenyl)-(4-methylpiperazin-1-yl)methanone hydrochloride Traditional Name: (2-methyl-3,5-dinitro-phenyl)-(4-methylpiperazino)methanone hydrochloride Formula: C13H17ClN4O5 MolecularWeight: 344.75088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)N2CCN(CC2)C)[N+](=O)[O-])[N+](=O)[O-].Cl

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)N2CCN(CC2)C)[N+](=O)[O-])[N+](=O)[O-].Cl

InChI

InChI=1S/C13H16N4O5.ClH/c1-9-11(13(18)15-5-3-14(2)4-6-15)7-10(16(19)20)8-12(9)17(21)22;/h7-8H,3-6H2,1-2H3;1H