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

Systemtic Name: methyl 2-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 2-[(6-amino-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 2-[(6-amino-5-nitro-4-pyrimidinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 2-[(6-amino-5-nitro-pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C12H11N5O4 MolecularWeight: 289.24684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5O4/c1-21-12(18)7-4-2-3-5-8(7)16-11-9(17(19)20)10(13)14-6-15-11/h2-6H,1H3,(H3,13,14,15,16)