2-[4-[(3-nitroquinolin-4-yl)amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(3-nitroquinolin-4-yl)amino]phenyl]ethanoic acid Openeye Name: 2-[4-[(3-nitro-4-quinolyl)amino]phenyl]acetic acid CAS Name: 2-[4-[(3-nitro-4-quinolinyl)amino]phenyl]acetic acid IUPAC Name: 2-[4-[(3-nitroquinolin-4-yl)amino]phenyl]acetic acid Traditional Name: 2-[4-[(3-nitro-4-quinolyl)amino]phenyl]acetic acid Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C=N2)[N+](=O)[O-])NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C=N2)[N+](=O)[O-])NC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C17H13N3O4/c21-16(22)9-11-5-7-12(8-6-11)19-17-13-3-1-2-4-14(13)18-10-15(17)20(23)24/h1-8,10H,9H2,(H,18,19)(H,21,22)