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

Systemtic Name: 2-[(2,3-dimethoxy-6-methyl-7-nitro-quinoxalin-5-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(2,3-dimethoxy-6-methyl-7-nitro-quinoxaline-5-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[(2,3-dimethoxy-6-methyl-7-nitro-5-quinoxalinyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2,3-dimethoxy-6-methyl-7-nitroquinoxaline-5-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(2,3-dimethoxy-6-methyl-7-nitro-quinoxaline-5-carbonyl)amino]-3-phenyl-propionic acid Formula: C21H20N4O7 MolecularWeight: 440.4061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C(=O)NC(CC3=CC=CC=C3)C(=O)O)N=C(C(=N2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1C(=O)NC(CC3=CC=CC=C3)C(=O)O)N=C(C(=N2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O7/c1-11-15(25(29)30)10-13-17(24-20(32-3)19(23-13)31-2)16(11)18(26)22-14(21(27)28)9-12-7-5-4-6-8-12/h4-8,10,14H,9H2,1-3H3,(H,22,26)(H,27,28)