2-[4-[(5,7-dinitroquinolin-8-yl)amino]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(5,7-dinitroquinolin-8-yl)amino]phenoxy]ethanoic acid Openeye Name: 2-[4-[(5,7-dinitro-8-quinolyl)amino]phenoxy]acetic acid CAS Name: 2-[4-[(5,7-dinitro-8-quinolinyl)amino]phenoxy]acetic acid IUPAC Name: 2-[4-[(5,7-dinitroquinolin-8-yl)amino]phenoxy]acetic acid Traditional Name: 2-[4-[(5,7-dinitro-8-quinolyl)amino]phenoxy]acetic acid Formula: C17H12N4O7 MolecularWeight: 384.29978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC3=CC=C(C=C3)OCC(=O)O)N=C1

Isomeric SMILES

C1=CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC3=CC=C(C=C3)OCC(=O)O)N=C1

InChI

InChI=1S/C17H12N4O7/c22-15(23)9-28-11-5-3-10(4-6-11)19-17-14(21(26)27)8-13(20(24)25)12-2-1-7-18-16(12)17/h1-8,19H,9H2,(H,22,23)