methyl 4-[5-nitro-6-(4-prop-2-enylpiperazin-1-yl)pyrimidin-4-yl]oxybenzoate

Systemtic Name: methyl 4-[5-nitro-6-(4-prop-2-enylpiperazin-1-yl)pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[6-(4-allylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[5-nitro-6-(4-prop-2-enyl-1-piperazinyl)-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[5-nitro-6-(4-prop-2-enylpiperazin-1-yl)pyrimidin-4-yl]oxybenzoate Traditional Name: 4-[6-(4-allylpiperazino)-5-nitro-pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC=C

InChI

InChI=1S/C19H21N5O5/c1-3-8-22-9-11-23(12-10-22)17-16(24(26)27)18(21-13-20-17)29-15-6-4-14(5-7-15)19(25)28-2/h3-7,13H,1,8-12H2,2H3