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

Systemtic Name: 4-[[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(4-ethylphenoxy)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(4-ethylphenoxy)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H16N4O5/c1-2-12-3-9-15(10-4-12)28-18-16(23(26)27)17(20-11-21-18)22-14-7-5-13(6-8-14)19(24)25/h3-11H,2H2,1H3,(H,24,25)(H,20,21,22)