3-[[4-(2-nitrophenyl)phenyl]methyl]-1-phenylmethoxy-octane-2,4-dione

Systemtic Name: 3-[[4-(2-nitrophenyl)phenyl]methyl]-1-phenylmethoxy-octane-2,4-dione Openeye Name: 1-benzyloxy-3-[[4-(2-nitrophenyl)phenyl]methyl]octane-2,4-dione CAS Name: 3-[[4-(2-nitrophenyl)phenyl]methyl]-1-phenylmethoxyoctane-2,4-dione IUPAC Name: 3-[[4-(2-nitrophenyl)phenyl]methyl]-1-phenylmethoxyoctane-2,4-dione Traditional Name: 1-benzoxy-3-[4-(2-nitrophenyl)benzyl]octane-2,4-dione Formula: C28H29NO5 MolecularWeight: 459.53356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2[N+](=O)[O-])C(=O)COCC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2[N+](=O)[O-])C(=O)COCC3=CC=CC=C3

InChI

InChI=1S/C28H29NO5/c1-2-3-13-27(30)25(28(31)20-34-19-22-9-5-4-6-10-22)18-21-14-16-23(17-15-21)24-11-7-8-12-26(24)29(32)33/h4-12,14-17,25H,2-3,13,18-20H2,1H3