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

Systemtic Name: 2-methyl-N-[2-[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]ethyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[2-[4-(2-methyl-3-nitro-benzoyl)piperazin-1-yl]ethyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[2-[4-[(2-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]ethyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[2-[4-(2-methyl-3-nitrobenzoyl)piperazin-1-yl]ethyl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[2-[4-(2-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=CC=C1[N+](=O)[O-])C(=O)NCCN2CCN(CC2)C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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