2-acetamido-3-(2,3-dimethoxy-6-methyl-7-nitro-quinoxalin-5-yl)propanoic acid

Systemtic Name: 2-acetamido-3-(2,3-dimethoxy-6-methyl-7-nitro-quinoxalin-5-yl)propanoic acid Openeye Name: 2-acetamido-3-(2,3-dimethoxy-6-methyl-7-nitro-quinoxalin-5-yl)propanoic acid CAS Name: 2-acetamido-3-(2,3-dimethoxy-6-methyl-7-nitro-5-quinoxalinyl)propanoic acid IUPAC Name: 2-acetamido-3-(2,3-dimethoxy-6-methyl-7-nitroquinoxalin-5-yl)propanoic acid Traditional Name: 2-acetamido-3-(2,3-dimethoxy-6-methyl-7-nitro-quinoxalin-5-yl)propionic acid Formula: C16H18N4O7 MolecularWeight: 378.33672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1CC(C(=O)O)NC(=O)C)N=C(C(=N2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1CC(C(=O)O)NC(=O)C)N=C(C(=N2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O7/c1-7-9(5-11(16(22)23)17-8(2)21)13-10(6-12(7)20(24)25)18-14(26-3)15(19-13)27-4/h6,11H,5H2,1-4H3,(H,17,21)(H,22,23)