4-[[6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(2-methoxyphenoxy)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C18H14N4O6 MolecularWeight: 382.32696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H14N4O6/c1-27-13-4-2-3-5-14(13)28-17-15(22(25)26)16(19-10-20-17)21-12-8-6-11(7-9-12)18(23)24/h2-10H,1H3,(H,23,24)(H,19,20,21)