4-[3-nitro-4-(3-oxidanylidenebutyl)phenyl]butan-2-one

Systemtic Name: 4-[3-nitro-4-(3-oxidanylidenebutyl)phenyl]butan-2-one Openeye Name: 4-[3-nitro-4-(3-oxobutyl)phenyl]butan-2-one CAS Name: 4-[3-nitro-4-(3-oxobutyl)phenyl]-2-butanone IUPAC Name: 4-[3-nitro-4-(3-oxobutyl)phenyl]butan-2-one Traditional Name: 4-[4-(3-ketobutyl)-3-nitro-phenyl]butan-2-one Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC(=C(C=C1)CCC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCC1=CC(=C(C=C1)CCC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H17NO4/c1-10(16)3-5-12-6-8-13(7-4-11(2)17)14(9-12)15(18)19/h6,8-9H,3-5,7H2,1-2H3