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

Systemtic Name: methyl 4-[(6-ethoxy-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 4-[(6-ethoxy-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(6-ethoxy-5-nitro-4-pyrimidinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-ethoxy-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-ethoxy-5-nitro-pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O5/c1-3-23-13-11(18(20)21)12(15-8-16-13)17-10-6-4-9(5-7-10)14(19)22-2/h4-8H,3H2,1-2H3,(H,15,16,17)