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

Systemtic Name: 3-[(2,3-dimethoxy-6-methyl-7-nitro-quinoxalin-5-yl)carbonylamino]propanoic acid Openeye Name: 3-[(2,3-dimethoxy-6-methyl-7-nitro-quinoxaline-5-carbonyl)amino]propanoic acid CAS Name: 3-[[(2,3-dimethoxy-6-methyl-7-nitro-5-quinoxalinyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(2,3-dimethoxy-6-methyl-7-nitroquinoxaline-5-carbonyl)amino]propanoic acid Traditional Name: 3-[(2,3-dimethoxy-6-methyl-7-nitro-quinoxaline-5-carbonyl)amino]propionic acid Formula: C15H16N4O7 MolecularWeight: 364.31014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C(=O)NCCC(=O)O)N=C(C(=N2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1C(=O)NCCC(=O)O)N=C(C(=N2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O7/c1-7-9(19(23)24)6-8-12(18-15(26-3)14(17-8)25-2)11(7)13(22)16-5-4-10(20)21/h6H,4-5H2,1-3H3,(H,16,22)(H,20,21)