(3-methyl-4-nitro-phenyl)-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]methanone

Systemtic Name: (3-methyl-4-nitro-phenyl)-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]methanone Openeye Name: (3-methyl-4-nitro-phenyl)-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]methanone CAS Name: (3-methyl-4-nitrophenyl)-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (3-methyl-4-nitrophenyl)-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]methanone Traditional Name: (3-methyl-4-nitro-phenyl)-[4-(4-nitro-3-piperidino-phenyl)piperazino]methanone Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O5/c1-17-15-18(5-7-20(17)27(30)31)23(29)26-13-11-24(12-14-26)19-6-8-21(28(32)33)22(16-19)25-9-3-2-4-10-25/h5-8,15-16H,2-4,9-14H2,1H3