3-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methylamino]benzoic acid

Systemtic Name: 3-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methylamino]benzoic acid Openeye Name: 3-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methylamino]benzoic acid CAS Name: 3-[(2,3-dimethoxy-7-nitro-5-quinoxalinyl)methylamino]benzoic acid IUPAC Name: 3-[(2,3-dimethoxy-7-nitroquinoxalin-5-yl)methylamino]benzoic acid Traditional Name: 3-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methylamino]benzoic acid Formula: C18H16N4O6 MolecularWeight: 384.34284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(C(=CC(=C2)[N+](=O)[O-])CNC3=CC=CC(=C3)C(=O)O)N=C1OC

Isomeric SMILES

COC1=NC2=C(C(=CC(=C2)[N+](=O)[O-])CNC3=CC=CC(=C3)C(=O)O)N=C1OC

InChI

InChI=1S/C18H16N4O6/c1-27-16-17(28-2)21-15-11(7-13(22(25)26)8-14(15)20-16)9-19-12-5-3-4-10(6-12)18(23)24/h3-8,19H,9H2,1-2H3,(H,23,24)