5-nitro-2-oxidanyl-3-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)benzaldehyde

Systemtic Name: 5-nitro-2-oxidanyl-3-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)benzaldehyde Openeye Name: 2-hydroxy-5-nitro-3-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)benzaldehyde CAS Name: 2-hydroxy-5-nitro-3-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)benzaldehyde IUPAC Name: 2-hydroxy-5-nitro-3-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)benzaldehyde Traditional Name: 2-hydroxy-5-nitro-3-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)benzaldehyde Formula: C16H22N2O7 MolecularWeight: 354.35508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCOCCN1CC2=C(C(=CC(=C2)[N+](=O)[O-])C=O)O

Isomeric SMILES

C1COCCOCCOCCN1CC2=C(C(=CC(=C2)[N+](=O)[O-])C=O)O

InChI

InChI=1S/C16H22N2O7/c19-12-14-10-15(18(21)22)9-13(16(14)20)11-17-1-3-23-5-7-25-8-6-24-4-2-17/h9-10,12,20H,1-8,11H2