4-[(5-nitro-6-quinolin-8-yloxy-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 4-[(5-nitro-6-quinolin-8-yloxy-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[[5-nitro-6-(8-quinolyloxy)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-(8-quinolinyloxy)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[[5-nitro-6-(8-quinolyloxy)pyrimidin-4-yl]amino]benzoic acid Formula: C20H13N5O5 MolecularWeight: 403.34772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)OC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O)N=CC=C2

InChI

InChI=1S/C20H13N5O5/c26-20(27)13-6-8-14(9-7-13)24-18-17(25(28)29)19(23-11-22-18)30-15-5-1-3-12-4-2-10-21-16(12)15/h1-11H,(H,26,27)(H,22,23,24)