dimethyl 5-[[6-[(5-chloranyl-2-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[6-[(5-chloranyl-2-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-(5-chloro-2-methylanilino)-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(5-chloro-2-methylanilino)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H18ClN5O6 MolecularWeight: 471.85052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H18ClN5O6/c1-11-4-5-14(22)9-16(11)26-19-17(27(30)31)18(23-10-24-19)25-15-7-12(20(28)32-2)6-13(8-15)21(29)33-3/h4-10H,1-3H3,(H2,23,24,25,26)