1-methoxy-4-[(1E)-3-methylbuta-1,3-dienyl]-5-(2-nitroethyl)-2-phenylmethoxy-benzene

Systemtic Name: 1-methoxy-4-[(1E)-3-methylbuta-1,3-dienyl]-5-(2-nitroethyl)-2-phenylmethoxy-benzene Openeye Name: 1-benzyloxy-2-methoxy-5-[(1E)-3-methylbuta-1,3-dienyl]-4-(2-nitroethyl)benzene CAS Name: 1-methoxy-4-[(1E)-3-methylbuta-1,3-dienyl]-5-(2-nitroethyl)-2-phenylmethoxybenzene IUPAC Name: 1-methoxy-4-[(1E)-3-methylbuta-1,3-dienyl]-5-(2-nitroethyl)-2-phenylmethoxybenzene Traditional Name: 1-benzoxy-2-methoxy-5-[(1E)-3-methylbuta-1,3-dienyl]-4-(2-nitroethyl)benzene Formula: C21H23NO4 MolecularWeight: 353.41162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C=CC1=CC(=C(C=C1CC[N+](=O)[O-])OC)OCC2=CC=CC=C2

Isomeric SMILES

CC(=C)/C=C/C1=CC(=C(C=C1CC[N+](=O)[O-])OC)OCC2=CC=CC=C2

InChI

InChI=1S/C21H23NO4/c1-16(2)9-10-18-14-21(26-15-17-7-5-4-6-8-17)20(25-3)13-19(18)11-12-22(23)24/h4-10,13-14H,1,11-12,15H2,2-3H3/b10-9+