6-[(4-isocyano-2-nitro-phenyl)amino]hexyl 2,2-dimethylpropanoate

Systemtic Name: 6-[(4-isocyano-2-nitro-phenyl)amino]hexyl 2,2-dimethylpropanoate Openeye Name: 6-(4-isocyano-2-nitro-anilino)hexyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 6-(4-isocyano-2-nitroanilino)hexyl ester IUPAC Name: 6-(4-isocyano-2-nitroanilino)hexyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 6-(4-isocyano-2-nitro-anilino)hexyl ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCCCCCNC1=C(C=C(C=C1)[N+]#[C-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)OCCCCCCNC1=C(C=C(C=C1)[N+]#[C-])[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O4/c1-18(2,3)17(22)25-12-8-6-5-7-11-20-15-10-9-14(19-4)13-16(15)21(23)24/h9-10,13,20H,5-8,11-12H2,1-3H3