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

Systemtic Name: methyl 2-[[6-[(2-methylquinolin-8-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-[(2-methyl-8-quinolinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[(2-methylquinolin-8-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C22H18N6O4 MolecularWeight: 430.41612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC=C4C(=O)OC)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC=C4C(=O)OC)C=C1

InChI

InChI=1S/C22H18N6O4/c1-13-10-11-14-6-5-9-17(18(14)25-13)27-21-19(28(30)31)20(23-12-24-21)26-16-8-4-3-7-15(16)22(29)32-2/h3-12H,1-2H3,(H2,23,24,26,27)