ethyl 4-[2-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-(2-chloro-4-nitro-anilino)ethylamino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[2-(2-chloro-4-nitroanilino)ethylamino]-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(2-chloro-4-nitroanilino)ethylamino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-(2-chloro-4-nitro-anilino)ethylamino]-2-keto-ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H24ClN5O5 MolecularWeight: 413.85596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H24ClN5O5/c1-2-28-17(25)22-9-7-21(8-10-22)12-16(24)20-6-5-19-15-4-3-13(23(26)27)11-14(15)18/h3-4,11,19H,2,5-10,12H2,1H3,(H,20,24)