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

Systemtic Name: methyl 2-[[6-[(2-methylquinolin-5-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H18N6O4 MolecularWeight: 430.41612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NC4=CC=CC=C4C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NC4=CC=CC=C4C(=O)OC)[N+](=O)[O-]

InChI

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