methyl 2-[[6-[(2,4-dichlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[6-[(2,4-dichlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(2,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(2,4-dichloroanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(2,4-dichloroanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(2,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H13Cl2N5O4 MolecularWeight: 434.23292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13Cl2N5O4/c1-29-18(26)11-4-2-3-5-13(11)23-16-15(25(27)28)17(22-9-21-16)24-14-7-6-10(19)8-12(14)20/h2-9H,1H3,(H2,21,22,23,24)