2-hydroxyethyl 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzoate

Systemtic Name: 2-hydroxyethyl 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzoate Openeye Name: 2-hydroxyethyl 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]benzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxybenzoate Traditional Name: 4-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]oxybenzoic acid 2-hydroxyethyl ester Formula: C23H22FN5O6 MolecularWeight: 483.449083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)OC4=CC=C(C=C4)C(=O)OCCO)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)OC4=CC=C(C=C4)C(=O)OCCO)[N+](=O)[O-]

InChI

InChI=1S/C23H22FN5O6/c24-18-3-1-2-4-19(18)27-9-11-28(12-10-27)21-20(29(32)33)22(26-15-25-21)35-17-7-5-16(6-8-17)23(31)34-14-13-30/h1-8,15,30H,9-14H2