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

Systemtic Name: ethyl 2-chloranyl-5-[[4-[(3-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate Openeye Name: ethyl 2-chloro-5-[[4-(3-methoxyanilino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate CAS Name: 2-chloro-5-[[4-(3-methoxyanilino)-6-methyl-5-nitro-2-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[[4-(3-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzoate Traditional Name: 2-chloro-5-[[4-(m-anisidino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoic acid ethyl ester Formula: C21H20ClN5O5 MolecularWeight: 457.867

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC2=NC(=C(C(=N2)NC3=CC(=CC=C3)OC)[N+](=O)[O-])C)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC2=NC(=C(C(=N2)NC3=CC(=CC=C3)OC)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C21H20ClN5O5/c1-4-32-20(28)16-11-14(8-9-17(16)22)25-21-23-12(2)18(27(29)30)19(26-21)24-13-6-5-7-15(10-13)31-3/h5-11H,4H2,1-3H3,(H2,23,24,25,26)