methyl 4-[(5-nitro-6-quinolin-8-yloxy-pyrimidin-4-yl)amino]benzoate

Systemtic Name: methyl 4-[(5-nitro-6-quinolin-8-yloxy-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 4-[[5-nitro-6-(8-quinolyloxy)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(8-quinolinyloxy)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)amino]benzoate Traditional Name: 4-[[5-nitro-6-(8-quinolyloxy)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C21H15N5O5 MolecularWeight: 417.3743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O5/c1-30-21(27)14-7-9-15(10-8-14)25-19-18(26(28)29)20(24-12-23-19)31-16-6-2-4-13-5-3-11-22-17(13)16/h2-12H,1H3,(H,23,24,25)