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

Systemtic Name: methyl 2-[[6-[(5-bromanylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-[(5-bromo-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-[(5-bromo-2-pyridinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[(5-bromopyridin-2-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-[(5-bromo-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C17H13BrN6O4 MolecularWeight: 445.22692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN6O4/c1-28-17(25)11-4-2-3-5-12(11)22-15-14(24(26)27)16(21-9-20-15)23-13-7-6-10(18)8-19-13/h2-9H,1H3,(H2,19,20,21,22,23)