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

Systemtic Name: methyl 4-[[6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C22H17N5O5 MolecularWeight: 431.40088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)OC)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)OC)C=C1

InChI

InChI=1S/C22H17N5O5/c1-13-6-7-14-4-3-5-17(18(14)25-13)32-21-19(27(29)30)20(23-12-24-21)26-16-10-8-15(9-11-16)22(28)31-2/h3-12H,1-2H3,(H,23,24,26)