4-[[6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C21H15N5O5 MolecularWeight: 417.3743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O)C=C1

InChI

InChI=1S/C21H15N5O5/c1-12-5-6-13-3-2-4-16(17(13)24-12)31-20-18(26(29)30)19(22-11-23-20)25-15-9-7-14(8-10-15)21(27)28/h2-11H,1H3,(H,27,28)(H,22,23,25)