4-[(6-ethoxy-5-nitro-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 4-[(6-ethoxy-5-nitro-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[(6-ethoxy-5-nitro-pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-[(6-ethoxy-5-nitro-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(6-ethoxy-5-nitropyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[(6-ethoxy-5-nitro-pyrimidin-4-yl)amino]benzoic acid Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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