2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3-(1-methylpyrazol-4-yl)propanoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3-(1-methylpyrazol-4-yl)propanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3-(1-methylpyrazol-4-yl)propanoate CAS Name: 3-(1-methyl-4-pyrazolyl)propanoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 3-(1-methylpyrazol-4-yl)propanoate Traditional Name: 3-(1-methylpyrazol-4-yl)propionic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C13H17N5O4 MolecularWeight: 307.30518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)CCC2=CN(N=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)CCC2=CN(N=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O4/c1-10-14-8-12(18(20)21)17(10)5-6-22-13(19)4-3-11-7-15-16(2)9-11/h7-9H,3-6H2,1-2H3