4-azanyl-2-methyl-5-nitro-1-phenyl-pentan-1-one

Systemtic Name: 4-azanyl-2-methyl-5-nitro-1-phenyl-pentan-1-one Openeye Name: 4-amino-2-methyl-5-nitro-1-phenyl-pentan-1-one CAS Name: 4-amino-2-methyl-5-nitro-1-phenyl-1-pentanone IUPAC Name: 4-amino-2-methyl-5-nitro-1-phenylpentan-1-one Traditional Name: 4-amino-2-methyl-5-nitro-1-phenyl-pentan-1-one Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3/c1-9(7-11(13)8-14(16)17)12(15)10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3