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

Systemtic Name: methyl 2-[[6-[(2-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(2-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(2-chloroanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(2-chloroanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(2-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H14ClN5O4 MolecularWeight: 399.78786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN5O4/c1-28-18(25)11-6-2-4-8-13(11)22-16-15(24(26)27)17(21-10-20-16)23-14-9-5-3-7-12(14)19/h2-10H,1H3,(H2,20,21,22,23)