methyl 2-azanyl-3-[1-(2,4-dinitrophenyl)imidazol-4-yl]propanoate

Systemtic Name: methyl 2-azanyl-3-[1-(2,4-dinitrophenyl)imidazol-4-yl]propanoate Openeye Name: methyl 2-amino-3-[1-(2,4-dinitrophenyl)imidazol-4-yl]propanoate CAS Name: 2-amino-3-[1-(2,4-dinitrophenyl)-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[1-(2,4-dinitrophenyl)imidazol-4-yl]propanoate Traditional Name: 2-amino-3-[1-(2,4-dinitrophenyl)imidazol-4-yl]propionic acid methyl ester Formula: C13H13N5O6 MolecularWeight: 335.27222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C=N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

COC(=O)C(CC1=CN(C=N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C13H13N5O6/c1-24-13(19)10(14)4-8-6-16(7-15-8)11-3-2-9(17(20)21)5-12(11)18(22)23/h2-3,5-7,10H,4,14H2,1H3