ethyl 4-[2-[(2-methyl-3,5-dinitro-phenyl)carbonylamino]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-methyl-3,5-dinitro-phenyl)carbonylamino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2-methyl-3,5-dinitro-benzoyl)amino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[(2-methyl-3,5-dinitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-methyl-3,5-dinitrobenzoyl)amino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2-methyl-3,5-dinitro-benzoyl)amino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H23N5O8 MolecularWeight: 485.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC(=C3C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC(=C3C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O8/c1-3-35-22(30)25-10-8-24(9-11-25)21(29)16-6-4-5-7-18(16)23-20(28)17-12-15(26(31)32)13-19(14(17)2)27(33)34/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,28)