4-[4-[(2-chloranyl-4-nitro-phenyl)carbonylamino]phenyl]-N-ethyl-piperazine-1-carboxamide

Systemtic Name: 4-[4-[(2-chloranyl-4-nitro-phenyl)carbonylamino]phenyl]-N-ethyl-piperazine-1-carboxamide Openeye Name: 4-[4-[(2-chloro-4-nitro-benzoyl)amino]phenyl]-N-ethyl-piperazine-1-carboxamide CAS Name: 4-[4-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]phenyl]-N-ethyl-1-piperazinecarboxamide IUPAC Name: 4-[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]-N-ethylpiperazine-1-carboxamide Traditional Name: 4-[4-[(2-chloro-4-nitro-benzoyl)amino]phenyl]-N-ethyl-piperazine-1-carboxamide Formula: C20H22ClN5O4 MolecularWeight: 431.87278

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCNC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN5O4/c1-2-22-20(28)25-11-9-24(10-12-25)15-5-3-14(4-6-15)23-19(27)17-8-7-16(26(29)30)13-18(17)21/h3-8,13H,2,9-12H2,1H3,(H,22,28)(H,23,27)