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

Systemtic Name: ethyl 4-[(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 4-[(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[[6-(1-imidazolyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-imidazol-1-yl-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C16H14N6O4 MolecularWeight: 354.32016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3

InChI

InChI=1S/C16H14N6O4/c1-2-26-16(23)11-3-5-12(6-4-11)20-14-13(22(24)25)15(19-9-18-14)21-8-7-17-10-21/h3-10H,2H2,1H3,(H,18,19,20)