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

Systemtic Name: methyl 2-[(6-azanyl-5-nitro-pyrimidin-4-yl)-methyl-amino]benzoate Openeye Name: methyl 2-[(6-amino-5-nitro-pyrimidin-4-yl)-methyl-amino]benzoate CAS Name: 2-[(6-amino-5-nitro-4-pyrimidinyl)-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]benzoate Traditional Name: 2-[(6-amino-5-nitro-pyrimidin-4-yl)-methyl-amino]benzoic acid methyl ester Formula: C13H13N5O4 MolecularWeight: 303.27342

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C13H13N5O4/c1-17(9-6-4-3-5-8(9)13(19)22-2)12-10(18(20)21)11(14)15-7-16-12/h3-7H,1-2H3,(H2,14,15,16)