4-(2-methyl-4-nitro-phenyl)butan-2-one

Systemtic Name: 4-(2-methyl-4-nitro-phenyl)butan-2-one Openeye Name: 4-(2-methyl-4-nitro-phenyl)butan-2-one CAS Name: 4-(2-methyl-4-nitrophenyl)-2-butanone IUPAC Name: 4-(2-methyl-4-nitrophenyl)butan-2-one Traditional Name: 4-(2-methyl-4-nitro-phenyl)butan-2-one Formula: C11H13NO3 MolecularWeight: 207.22582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO3/c1-8-7-11(12(14)15)6-5-10(8)4-3-9(2)13/h5-7H,3-4H2,1-2H3