4-[2-(3,5-dimethylphenoxy)ethoxy]-3-nitro-benzaldehyde

Systemtic Name: 4-[2-(3,5-dimethylphenoxy)ethoxy]-3-nitro-benzaldehyde Openeye Name: 4-[2-(3,5-dimethylphenoxy)ethoxy]-3-nitro-benzaldehyde CAS Name: 4-[2-(3,5-dimethylphenoxy)ethoxy]-3-nitrobenzaldehyde IUPAC Name: 4-[2-(3,5-dimethylphenoxy)ethoxy]-3-nitrobenzaldehyde Traditional Name: 4-[2-(3,5-dimethylphenoxy)ethoxy]-3-nitro-benzaldehyde Formula: C17H17NO5 MolecularWeight: 315.32058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC2=C(C=C(C=C2)C=O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC2=C(C=C(C=C2)C=O)[N+](=O)[O-])C

InChI

InChI=1S/C17H17NO5/c1-12-7-13(2)9-15(8-12)22-5-6-23-17-4-3-14(11-19)10-16(17)18(20)21/h3-4,7-11H,5-6H2,1-2H3