(3-methylquinoxalin-2-yl)methyl (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: (3-methylquinoxalin-2-yl)methyl (2S)-2-[(3-nitrobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl (2S)-2-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]propionic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C(C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)[C@H](C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c1-12-18(23-17-9-4-3-8-16(17)21-12)11-29-20(26)13(2)22-19(25)14-6-5-7-15(10-14)24(27)28/h3-10,13H,11H2,1-2H3,(H,22,25)/t13-/m0/s1