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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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