ethyl 3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(2-fluorobenzyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C21H22FN3O5 MolecularWeight: 415.414883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN3O5/c1-2-30-21(27)17-11-16(12-18(13-17)25(28)29)20(26)24-9-7-23(8-10-24)14-15-5-3-4-6-19(15)22/h3-6,11-13H,2,7-10,14H2,1H3