methyl 2-acetamido-3-[5-nitro-1-(phenylmethyl)imidazol-4-yl]propanoate

Systemtic Name: methyl 2-acetamido-3-[5-nitro-1-(phenylmethyl)imidazol-4-yl]propanoate Openeye Name: methyl 2-acetamido-3-(1-benzyl-5-nitro-imidazol-4-yl)propanoate CAS Name: 2-acetamido-3-[5-nitro-1-(phenylmethyl)-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-(1-benzyl-5-nitroimidazol-4-yl)propanoate Traditional Name: 2-acetamido-3-(1-benzyl-5-nitro-imidazol-4-yl)propionic acid methyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C(N(C=N1)CC2=CC=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)NC(CC1=C(N(C=N1)CC2=CC=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H18N4O5/c1-11(21)18-14(16(22)25-2)8-13-15(20(23)24)19(10-17-13)9-12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3,(H,18,21)