ethyl 4-(6-azanyl-5-nitro-pyrimidin-4-yl)oxybenzoate

Systemtic Name: ethyl 4-(6-azanyl-5-nitro-pyrimidin-4-yl)oxybenzoate Openeye Name: ethyl 4-(6-amino-5-nitro-pyrimidin-4-yl)oxybenzoate CAS Name: 4-[(6-amino-5-nitro-4-pyrimidinyl)oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate Traditional Name: 4-(6-amino-5-nitro-pyrimidin-4-yl)oxybenzoic acid ethyl ester Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C13H12N4O5/c1-2-21-13(18)8-3-5-9(6-4-8)22-12-10(17(19)20)11(14)15-7-16-12/h3-7H,2H2,1H3,(H2,14,15,16)