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

Systemtic Name: ethyl 4-[(6-ethoxy-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 4-[(6-ethoxy-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(6-ethoxy-5-nitro-4-pyrimidinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-ethoxy-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-ethoxy-5-nitro-pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C15H16N4O5/c1-3-23-14-12(19(21)22)13(16-9-17-14)18-11-7-5-10(6-8-11)15(20)24-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18)