5-nitro-2-oxidanyl-3-(1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-ylmethyl)benzaldehyde

Systemtic Name: 5-nitro-2-oxidanyl-3-(1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-ylmethyl)benzaldehyde Openeye Name: 2-hydroxy-5-nitro-3-(1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-ylmethyl)benzaldehyde CAS Name: 2-hydroxy-5-nitro-3-(1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-ylmethyl)benzaldehyde IUPAC Name: 2-hydroxy-5-nitro-3-(1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-ylmethyl)benzaldehyde Traditional Name: 2-hydroxy-5-nitro-3-(1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-ylmethyl)benzaldehyde Formula: C20H31N3O8 MolecularWeight: 441.47544

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCN(CCOCCOCCN1)CC2=C(C(=CC(=C2)[N+](=O)[O-])C=O)O

Isomeric SMILES

C1COCCOCCN(CCOCCOCCN1)CC2=C(C(=CC(=C2)[N+](=O)[O-])C=O)O

InChI

InChI=1S/C20H31N3O8/c24-16-18-14-19(23(26)27)13-17(20(18)25)15-22-3-7-30-11-9-28-5-1-21-2-6-29-10-12-31-8-4-22/h13-14,16,21,25H,1-12,15H2