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

Systemtic Name: 2-[[(2,3-dimethylquinoxalin-6-yl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(2,3-dimethylquinoxaline-6-carbonyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(2,3-dimethyl-6-quinoxalinyl)-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(2,3-dimethylquinoxaline-6-carbonyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(2,3-dimethylquinoxaline-6-carbonyl)amino]methyl]-4-nitro-phenolate Formula: C18H15N4O4- MolecularWeight: 351.3361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-])N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-])N=C1C

InChI

InChI=1S/C18H16N4O4/c1-10-11(2)21-16-8-12(3-5-15(16)20-10)18(24)19-9-13-7-14(22(25)26)4-6-17(13)23/h3-8,23H,9H2,1-2H3,(H,19,24)/p-1