2-nitro-5-(1,4,7,10,13-pentaoxa-2-azacyclopentadec-2-yl)benzoic acid

Systemtic Name: 2-nitro-5-(1,4,7,10,13-pentaoxa-2-azacyclopentadec-2-yl)benzoic acid Openeye Name: 2-nitro-5-(1,4,7,10,13-pentaoxa-2-azacyclopentadec-2-yl)benzoic acid CAS Name: 2-nitro-5-(1,4,7,10,13-pentaoxa-2-azacyclopentadec-2-yl)benzoic acid IUPAC Name: 2-nitro-5-(1,4,7,10,13-pentaoxa-2-azacyclopentadec-2-yl)benzoic acid Traditional Name: 2-nitro-5-(1,4,7,10,13-pentaoxa-2-azacyclopentadec-2-yl)benzoic acid Formula: C16H22N2O9 MolecularWeight: 386.35388

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCN(OCCOCCO1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1COCCOCN(OCCOCCO1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H22N2O9/c19-16(20)14-11-13(1-2-15(14)18(21)22)17-12-26-8-7-24-4-3-23-5-6-25-9-10-27-17/h1-2,11H,3-10,12H2,(H,19,20)