N-(2-methylpropyl)-2-nitro-5-piperazin-1-yl-aniline hydrochloride

Systemtic Name: N-(2-methylpropyl)-2-nitro-5-piperazin-1-yl-aniline hydrochloride Openeye Name: N-isobutyl-2-nitro-5-piperazin-1-yl-aniline hydrochloride CAS Name: N-(2-methylpropyl)-2-nitro-5-(1-piperazinyl)aniline hydrochloride IUPAC Name: N-(2-methylpropyl)-2-nitro-5-piperazin-1-ylaniline hydrochloride Traditional Name: isobutyl-(2-nitro-5-piperazino-phenyl)amine hydrochloride Formula: C14H23ClN4O2 MolecularWeight: 314.81102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C=CC(=C1)N2CCNCC2)[N+](=O)[O-].Cl

Isomeric SMILES

CC(C)CNC1=C(C=CC(=C1)N2CCNCC2)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H22N4O2.ClH/c1-11(2)10-16-13-9-12(3-4-14(13)18(19)20)17-7-5-15-6-8-17;/h3-4,9,11,15-16H,5-8,10H2,1-2H3;1H