methyl 2-chloranyl-5-[[2-[(4-chloranyl-3-methoxycarbonyl-phenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[[2-[(4-chloranyl-3-methoxycarbonyl-phenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-chloro-5-[[2-(4-chloro-3-methoxycarbonyl-anilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-chloro-5-[[2-(4-chloro-3-methoxycarbonylanilino)-6-methyl-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[2-(4-chloro-3-methoxycarbonylanilino)-6-methyl-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 5-[[2-(3-carbomethoxy-4-chloro-anilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]-2-chloro-benzoic acid methyl ester Formula: C21H17Cl2N5O6 MolecularWeight: 506.29558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC(=C(C=C2)Cl)C(=O)OC)NC3=CC(=C(C=C3)Cl)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC(=C(C=C2)Cl)C(=O)OC)NC3=CC(=C(C=C3)Cl)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H17Cl2N5O6/c1-10-17(28(31)32)18(25-11-4-6-15(22)13(8-11)19(29)33-2)27-21(24-10)26-12-5-7-16(23)14(9-12)20(30)34-3/h4-9H,1-3H3,(H2,24,25,26,27)