tert-butyl (2S)-2-[(2,3-dimethoxy-6-methyl-7-nitro-quinoxalin-5-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-[(2,3-dimethoxy-6-methyl-7-nitro-quinoxalin-5-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[(2,3-dimethoxy-6-methyl-7-nitro-quinoxaline-5-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2,3-dimethoxy-6-methyl-7-nitro-5-quinoxalinyl)-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2,3-dimethoxy-6-methyl-7-nitroquinoxaline-5-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2,3-dimethoxy-6-methyl-7-nitro-quinoxaline-5-carbonyl)amino]-3-phenyl-propionic acid tert-butyl ester Formula: C25H28N4O7 MolecularWeight: 496.51242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O7/c1-14-18(29(32)33)13-16-20(28-23(35-6)22(27-16)34-5)19(14)21(30)26-17(24(31)36-25(2,3)4)12-15-10-8-7-9-11-15/h7-11,13,17H,12H2,1-6H3,(H,26,30)/t17-/m0/s1