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

Systemtic Name: methyl 4-[(6-chloranyl-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 4-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(6-chloro-5-nitro-4-pyrimidinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C12H9ClN4O4 MolecularWeight: 308.67726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H9ClN4O4/c1-21-12(18)7-2-4-8(5-3-7)16-11-9(17(19)20)10(13)14-6-15-11/h2-6H,1H3,(H,14,15,16)