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

Systemtic Name: ethyl 4-[2-[(3,5-dinitrophenyl)carbonylamino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(3,5-dinitrobenzoyl)amino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[(3,5-dinitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3,5-dinitrobenzoyl)amino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3,5-dinitrobenzoyl)amino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H21N5O8 MolecularWeight: 471.42014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O8/c1-2-34-21(29)24-9-7-23(8-10-24)20(28)17-5-3-4-6-18(17)22-19(27)14-11-15(25(30)31)13-16(12-14)26(32)33/h3-6,11-13H,2,7-10H2,1H3,(H,22,27)