1-[(4-chloranyl-3-nitro-phenyl)methyl]-4-ethyl-piperazine-2,3-dione

Systemtic Name: 1-[(4-chloranyl-3-nitro-phenyl)methyl]-4-ethyl-piperazine-2,3-dione Openeye Name: 1-[(4-chloro-3-nitro-phenyl)methyl]-4-ethyl-piperazine-2,3-dione CAS Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-ethylpiperazine-2,3-dione IUPAC Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-ethylpiperazine-2,3-dione Traditional Name: 1-(4-chloro-3-nitro-benzyl)-4-ethyl-piperazine-2,3-quinone Formula: C13H14ClN3O4 MolecularWeight: 311.72096

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(C(=O)C1=O)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H14ClN3O4/c1-2-15-5-6-16(13(19)12(15)18)8-9-3-4-10(14)11(7-9)17(20)21/h3-4,7H,2,5-6,8H2,1H3