3-(diphenylmethyl)-1-[(5-nitro-2-oxidanyl-phenyl)methyl]piperidin-4-one

Systemtic Name: 3-(diphenylmethyl)-1-[(5-nitro-2-oxidanyl-phenyl)methyl]piperidin-4-one Openeye Name: 3-benzhydryl-1-[(2-hydroxy-5-nitro-phenyl)methyl]piperidin-4-one CAS Name: 3-(diphenylmethyl)-1-[(2-hydroxy-5-nitrophenyl)methyl]-4-piperidinone IUPAC Name: 3-benzhydryl-1-[(2-hydroxy-5-nitrophenyl)methyl]piperidin-4-one Traditional Name: 3-benzhydryl-1-(2-hydroxy-5-nitro-benzyl)-4-piperidone Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CC(C1=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C25H24N2O4/c28-23-12-11-21(27(30)31)15-20(23)16-26-14-13-24(29)22(17-26)25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,15,22,25,28H,13-14,16-17H2