ethyl 2-[[6-[(2-methylquinolin-5-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 2-[[6-[(2-methylquinolin-5-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 2-[[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-[(2-methyl-5-quinolinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[6-[(2-methylquinolin-5-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C23H20N6O4 MolecularWeight: 444.4427

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC(=N4)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC(=N4)C

InChI

InChI=1S/C23H20N6O4/c1-3-33-23(30)16-7-4-5-8-19(16)28-22-20(29(31)32)21(24-13-25-22)27-18-10-6-9-17-15(18)12-11-14(2)26-17/h4-13H,3H2,1-2H3,(H2,24,25,27,28)