methyl (2S)-2-acetamido-3-[1-(4-nitrophenyl)imidazol-4-yl]propanoate

Systemtic Name: methyl (2S)-2-acetamido-3-[1-(4-nitrophenyl)imidazol-4-yl]propanoate Openeye Name: methyl (2S)-2-acetamido-3-[1-(4-nitrophenyl)imidazol-4-yl]propanoate CAS Name: (2S)-2-acetamido-3-[1-(4-nitrophenyl)-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-3-[1-(4-nitrophenyl)imidazol-4-yl]propanoate Traditional Name: (2S)-2-acetamido-3-[1-(4-nitrophenyl)imidazol-4-yl]propionic acid methyl ester Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CN(C=N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CC1=CN(C=N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H16N4O5/c1-10(20)17-14(15(21)24-2)7-11-8-18(9-16-11)12-3-5-13(6-4-12)19(22)23/h3-6,8-9,14H,7H2,1-2H3,(H,17,20)/t14-/m0/s1