2-azido-3-(4-methylphenyl)-3-nitrooxy-propanoic acid

Systemtic Name: 2-azido-3-(4-methylphenyl)-3-nitrooxy-propanoic acid Openeye Name: 2-azido-3-nitrooxy-3-(p-tolyl)propanoic acid CAS Name: 2-azido-3-(4-methylphenyl)-3-nitrooxypropanoic acid IUPAC Name: 2-azido-3-(4-methylphenyl)-3-nitrooxypropanoic acid Traditional Name: 2-azido-3-nitrooxy-3-(p-tolyl)propionic acid Formula: C10H10N4O5 MolecularWeight: 266.2102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C(=O)O)N=[N+]=[N-])O[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C(C(=O)O)N=[N+]=[N-])O[N+](=O)[O-]

InChI

InChI=1S/C10H10N4O5/c1-6-2-4-7(5-3-6)9(19-14(17)18)8(10(15)16)12-13-11/h2-5,8-9H,1H3,(H,15,16)