3-azanyl-6-[(5-methyl-2-nitro-phenyl)amino]hexan-2-one

Systemtic Name: 3-azanyl-6-[(5-methyl-2-nitro-phenyl)amino]hexan-2-one Openeye Name: 3-amino-6-(5-methyl-2-nitro-anilino)hexan-2-one CAS Name: 3-amino-6-(5-methyl-2-nitroanilino)-2-hexanone IUPAC Name: 3-amino-6-(5-methyl-2-nitroanilino)hexan-2-one Traditional Name: 3-amino-6-(5-methyl-2-nitro-anilino)hexan-2-one Formula: C13H19N3O3 MolecularWeight: 265.30826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3/c1-9-5-6-13(16(18)19)12(8-9)15-7-3-4-11(14)10(2)17/h5-6,8,11,15H,3-4,7,14H2,1-2H3