2-methylpropyl 4-[[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[(5-bromo-8-quinolinyl)oxy]-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C24H20BrN5O5 MolecularWeight: 538.3501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C24H20BrN5O5/c1-14(2)12-34-24(31)15-5-7-16(8-6-15)29-22-21(30(32)33)23(28-13-27-22)35-19-10-9-18(25)17-4-3-11-26-20(17)19/h3-11,13-14H,12H2,1-2H3,(H,27,28,29)