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

Systemtic Name: 3-[4-(diethylaminomethyl)phenyl]-1-(4-methoxyphenyl)-4-nitro-butan-1-one Openeye Name: 3-[4-(diethylaminomethyl)phenyl]-1-(4-methoxyphenyl)-4-nitro-butan-1-one CAS Name: 3-[4-(diethylaminomethyl)phenyl]-1-(4-methoxyphenyl)-4-nitro-1-butanone IUPAC Name: 3-[4-(diethylaminomethyl)phenyl]-1-(4-methoxyphenyl)-4-nitrobutan-1-one Traditional Name: 3-[4-(diethylaminomethyl)phenyl]-1-(4-methoxyphenyl)-4-nitro-butan-1-one Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-4-23(5-2)15-17-6-8-18(9-7-17)20(16-24(26)27)14-22(25)19-10-12-21(28-3)13-11-19/h6-13,20H,4-5,14-16H2,1-3H3