ethyl 4-[3-(cyclopropylamino)-6-fluoranyl-2-(methoxymethyl)-4-nitro-phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(cyclopropylamino)-6-fluoranyl-2-(methoxymethyl)-4-nitro-phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(cyclopropylamino)-6-fluoro-2-(methoxymethyl)-4-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[3-(cyclopropylamino)-6-fluoro-2-(methoxymethyl)-4-nitrophenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(cyclopropylamino)-6-fluoro-2-(methoxymethyl)-4-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[3-(cyclopropylamino)-6-fluoro-2-(methoxymethyl)-4-nitro-phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H25FN4O5 MolecularWeight: 396.413303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C(=C2COC)NC3CC3)[N+](=O)[O-])F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C(=C2COC)NC3CC3)[N+](=O)[O-])F

InChI

InChI=1S/C18H25FN4O5/c1-3-28-18(24)22-8-6-21(7-9-22)17-13(11-27-2)16(20-12-4-5-12)15(23(25)26)10-14(17)19/h10,12,20H,3-9,11H2,1-2H3