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

Systemtic Name: methyl 2-chloranyl-5-[[4-[(4-ethoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 2-chloro-5-[[4-(4-ethoxyanilino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate CAS Name: 2-chloro-5-[[4-(4-ethoxyanilino)-6-methyl-5-nitro-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[4-(4-ethoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzoate Traditional Name: 2-chloro-5-[[4-methyl-5-nitro-6-(p-phenetidino)pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C21H20ClN5O5 MolecularWeight: 457.867

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)NC3=CC(=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)NC3=CC(=C(C=C3)Cl)C(=O)OC

InChI

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