2-(methylamino)-3-(3-methyl-5-nitro-imidazol-4-yl)propanoic acid

Systemtic Name: 2-(methylamino)-3-(3-methyl-5-nitro-imidazol-4-yl)propanoic acid Openeye Name: 2-(methylamino)-3-(3-methyl-5-nitro-imidazol-4-yl)propanoic acid CAS Name: 2-(methylamino)-3-(3-methyl-5-nitro-4-imidazolyl)propanoic acid IUPAC Name: 2-(methylamino)-3-(3-methyl-5-nitroimidazol-4-yl)propanoic acid Traditional Name: 2-(methylamino)-3-(3-methyl-5-nitro-imidazol-4-yl)propionic acid Formula: C8H12N4O4 MolecularWeight: 228.20528

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=C(N=CN1C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CNC(CC1=C(N=CN1C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C8H12N4O4/c1-9-5(8(13)14)3-6-7(12(15)16)10-4-11(6)2/h4-5,9H,3H2,1-2H3,(H,13,14)