3-[4-(diethylaminomethyl)phenyl]-4-nitro-1-phenyl-butan-1-one

Systemtic Name: 3-[4-(diethylaminomethyl)phenyl]-4-nitro-1-phenyl-butan-1-one Openeye Name: 3-[4-(diethylaminomethyl)phenyl]-4-nitro-1-phenyl-butan-1-one CAS Name: 3-[4-(diethylaminomethyl)phenyl]-4-nitro-1-phenyl-1-butanone IUPAC Name: 3-[4-(diethylaminomethyl)phenyl]-4-nitro-1-phenylbutan-1-one Traditional Name: 3-[4-(diethylaminomethyl)phenyl]-4-nitro-1-phenyl-butan-1-one Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O3/c1-3-22(4-2)15-17-10-12-18(13-11-17)20(16-23(25)26)14-21(24)19-8-6-5-7-9-19/h5-13,20H,3-4,14-16H2,1-2H3