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

Systemtic Name: 5-[4-methoxy-3-(phenylmethyl)phenyl]-3-[(3-nitro-4-phenylmethoxy-phenyl)methyl]oxan-2-one Openeye Name: 5-(3-benzyl-4-methoxy-phenyl)-3-[(4-benzyloxy-3-nitro-phenyl)methyl]tetrahydropyran-2-one CAS Name: 5-[4-methoxy-3-(phenylmethyl)phenyl]-3-[(3-nitro-4-phenylmethoxyphenyl)methyl]-2-oxanone IUPAC Name: 5-(3-benzyl-4-methoxyphenyl)-3-[(3-nitro-4-phenylmethoxyphenyl)methyl]oxan-2-one Traditional Name: 3-(4-benzoxy-3-nitro-benzyl)-5-(3-benzyl-4-methoxy-phenyl)tetrahydropyran-2-one Formula: C33H31NO6 MolecularWeight: 537.60234

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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-])CC5=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-])CC5=CC=CC=C5

InChI

InChI=1S/C33H31NO6/c1-38-31-15-13-26(19-27(31)16-23-8-4-2-5-9-23)29-20-28(33(35)40-22-29)17-25-12-14-32(30(18-25)34(36)37)39-21-24-10-6-3-7-11-24/h2-15,18-19,28-29H,16-17,20-22H2,1H3