4-methyl-N-[2-[4-(4-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]ethyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[2-[4-(4-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]ethyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[2-[4-(4-methyl-3-nitro-benzoyl)piperazin-1-yl]ethyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[2-[4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]ethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]ethyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[2-[4-(4-methyl-3-nitro-benzoyl)piperazino]ethyl]-3-nitro-benzamide Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCN2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCN2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O6/c1-15-3-5-17(13-19(15)26(30)31)21(28)23-7-8-24-9-11-25(12-10-24)22(29)18-6-4-16(2)20(14-18)27(32)33/h3-6,13-14H,7-12H2,1-2H3,(H,23,28)