5-[2-[azanyl-(4-nitrophenyl)amino]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[2-[azanyl-(4-nitrophenyl)amino]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[2-(N-amino-4-nitro-anilino)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[2-(N-amino-4-nitroanilino)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[2-(N-amino-4-nitroanilino)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[2-(N-amino-4-nitro-anilino)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)CCN(C2=CC=C(C=C2)[N+](=O)[O-])N)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)CCN(C2=CC=C(C=C2)[N+](=O)[O-])N)C

InChI

InChI=1S/C14H17N3O6/c1-14(2)22-12(18)11(13(19)23-14)7-8-16(15)9-3-5-10(6-4-9)17(20)21/h3-6,11H,7-8,15H2,1-2H3