3-[[4-[2-(3-hydroxyphenyl)ethylamino]-5-nitro-pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[4-[2-(3-hydroxyphenyl)ethylamino]-5-nitro-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[4-[2-(3-hydroxyphenyl)ethylamino]-5-nitro-pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[4-[2-(3-hydroxyphenyl)ethylamino]-5-nitro-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[4-[2-(3-hydroxyphenyl)ethylamino]-5-nitropyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[4-[2-(3-hydroxyphenyl)ethylamino]-5-nitro-pyrimidin-2-yl]amino]benzoic acid Formula: C19H17N5O5 MolecularWeight: 395.36878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)O)CCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H17N5O5/c25-15-6-1-3-12(9-15)7-8-20-17-16(24(28)29)11-21-19(23-17)22-14-5-2-4-13(10-14)18(26)27/h1-6,9-11,25H,7-8H2,(H,26,27)(H2,20,21,22,23)