4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-nitro-benzaldehyde

Systemtic Name: 4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-nitro-benzaldehyde Openeye Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-nitro-benzaldehyde CAS Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-nitrobenzaldehyde IUPAC Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-nitrobenzaldehyde Traditional Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-nitro-benzaldehyde Formula: C17H15ClN2O5 MolecularWeight: 362.7644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC3=C(C=C(C=C3)C=O)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC3=C(C=C(C=C3)C=O)[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C17H15ClN2O5/c18-13-6-12(8-16-17(13)25-5-1-4-24-16)9-19-14-3-2-11(10-21)7-15(14)20(22)23/h2-3,6-8,10,19H,1,4-5,9H2