5-(4-methoxy-3-phenyl-phenyl)-3-[(3-nitro-4-phenylmethoxy-phenyl)methyl]oxan-2-one

Systemtic Name: 5-(4-methoxy-3-phenyl-phenyl)-3-[(3-nitro-4-phenylmethoxy-phenyl)methyl]oxan-2-one Openeye Name: 3-[(4-benzyloxy-3-nitro-phenyl)methyl]-5-(4-methoxy-3-phenyl-phenyl)tetrahydropyran-2-one CAS Name: 5-(4-methoxy-3-phenylphenyl)-3-[(3-nitro-4-phenylmethoxyphenyl)methyl]-2-oxanone IUPAC Name: 5-(4-methoxy-3-phenylphenyl)-3-[(3-nitro-4-phenylmethoxyphenyl)methyl]oxan-2-one Traditional Name: 3-(4-benzoxy-3-nitro-benzyl)-5-(4-methoxy-3-phenyl-phenyl)tetrahydropyran-2-one Formula: C32H29NO6 MolecularWeight: 523.57576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C32H29NO6/c1-37-30-15-13-25(19-28(30)24-10-6-3-7-11-24)27-18-26(32(34)39-21-27)16-23-12-14-31(29(17-23)33(35)36)38-20-22-8-4-2-5-9-22/h2-15,17,19,26-27H,16,18,20-21H2,1H3