methyl 2-[(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amino]benzoate

Systemtic Name: methyl 2-[(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 2-[(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 2-[[6-(1-imidazolyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(6-imidazol-1-yl-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 2-[(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C15H12N6O4 MolecularWeight: 340.29358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3

InChI

InChI=1S/C15H12N6O4/c1-25-15(22)10-4-2-3-5-11(10)19-13-12(21(23)24)14(18-8-17-13)20-7-6-16-9-20/h2-9H,1H3,(H,17,18,19)