methyl 2-acetamido-3-(4-nitroimidazol-4-yl)propanoate

Systemtic Name: methyl 2-acetamido-3-(4-nitroimidazol-4-yl)propanoate Openeye Name: methyl 2-acetamido-3-(4-nitroimidazol-4-yl)propanoate CAS Name: 2-acetamido-3-(4-nitro-4-imidazolyl)propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-(4-nitroimidazol-4-yl)propanoate Traditional Name: 2-acetamido-3-(4-nitroimidazol-4-yl)propionic acid methyl ester Formula: C9H12N4O5 MolecularWeight: 256.21538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N4O5/c1-6(14)12-7(8(15)18-2)3-9(13(16)17)4-10-5-11-9/h4-5,7H,3H2,1-2H3,(H,12,14)