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

Systemtic Name: ethyl 2-chloranyl-5-[[2-[(4-chloranyl-3-ethoxycarbonyl-phenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 2-chloro-5-[[2-(4-chloro-3-ethoxycarbonyl-anilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-chloro-5-[[2-(4-chloro-3-ethoxycarbonylanilino)-6-methyl-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[[2-(4-chloro-3-ethoxycarbonylanilino)-6-methyl-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 5-[[2-(3-carbethoxy-4-chloro-anilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]-2-chloro-benzoic acid ethyl ester Formula: C23H21Cl2N5O6 MolecularWeight: 534.34874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21Cl2N5O6/c1-4-35-21(31)15-10-13(6-8-17(15)24)27-20-19(30(33)34)12(3)26-23(29-20)28-14-7-9-18(25)16(11-14)22(32)36-5-2/h6-11H,4-5H2,1-3H3,(H2,26,27,28,29)