2-[[(2,6-dimethylquinolin-3-yl)carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(2,6-dimethylquinolin-3-yl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(2,6-dimethylquinoline-3-carbonyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(2,6-dimethyl-3-quinolinyl)-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(2,6-dimethylquinoline-3-carbonyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(2,6-dimethylquinoline-3-carbonyl)amino]methyl]-4-nitro-phenolate Formula: C19H16N3O4- MolecularWeight: 350.34804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H17N3O4/c1-11-3-5-17-13(7-11)9-16(12(2)21-17)19(24)20-10-14-8-15(22(25)26)4-6-18(14)23/h3-9,23H,10H2,1-2H3,(H,20,24)/p-1