ethyl 4-[2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2-chloro-5-nitro-benzyl)-methyl-amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H23ClN4O5 MolecularWeight: 398.84132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H23ClN4O5/c1-3-27-17(24)21-8-6-20(7-9-21)16(23)12-19(2)11-13-10-14(22(25)26)4-5-15(13)18/h4-5,10H,3,6-9,11-12H2,1-2H3