5-[3-(dimethylaminomethyl)-4-methyl-piperazin-1-yl]-2-nitro-aniline

Systemtic Name: 5-[3-(dimethylaminomethyl)-4-methyl-piperazin-1-yl]-2-nitro-aniline Openeye Name: 5-[3-(dimethylaminomethyl)-4-methyl-piperazin-1-yl]-2-nitro-aniline CAS Name: 5-[3-(dimethylaminomethyl)-4-methyl-1-piperazinyl]-2-nitroaniline IUPAC Name: 5-[3-(dimethylaminomethyl)-4-methylpiperazin-1-yl]-2-nitroaniline Traditional Name: [4-(3-amino-4-nitro-phenyl)-1-methyl-piperazin-2-yl]methyl-dimethyl-amine Formula: C14H23N5O2 MolecularWeight: 293.36472

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1CN(C)C)C2=CC(=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CN1CCN(CC1CN(C)C)C2=CC(=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C14H23N5O2/c1-16(2)9-12-10-18(7-6-17(12)3)11-4-5-14(19(20)21)13(15)8-11/h4-5,8,12H,6-7,9-10,15H2,1-3H3