methyl 4-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]oxybenzoate

Systemtic Name: methyl 4-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[5-nitro-6-(3-pyridinylmethylamino)-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]oxybenzoate Traditional Name: 4-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C18H15N5O5 MolecularWeight: 381.3422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3

InChI

InChI=1S/C18H15N5O5/c1-27-18(24)13-4-6-14(7-5-13)28-17-15(23(25)26)16(21-11-22-17)20-10-12-3-2-8-19-9-12/h2-9,11H,10H2,1H3,(H,20,21,22)