2,3-bis(2-methyl-5-nitro-quinolin-8-yl)-1,4,7,10,13-pentaoxa-2,3-diazacyclopentadecane

Systemtic Name: 2,3-bis(2-methyl-5-nitro-quinolin-8-yl)-1,4,7,10,13-pentaoxa-2,3-diazacyclopentadecane Openeye Name: 2,3-bis(2-methyl-5-nitro-8-quinolyl)-1,4,7,10,13-pentaoxa-2,3-diazacyclopentadecane CAS Name: 2,3-bis(2-methyl-5-nitro-8-quinolinyl)-1,4,7,10,13-pentaoxa-2,3-diazacyclopentadecane IUPAC Name: 2,3-bis(2-methyl-5-nitroquinolin-8-yl)-1,4,7,10,13-pentaoxa-2,3-diazacyclopentadecane Traditional Name: 2,3-bis(2-methyl-5-nitro-8-quinolyl)-1,4,7,10,13-pentaoxa-2,3-diazacyclopentadecane Formula: C28H30N6O9 MolecularWeight: 594.5726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2C=C1)[N+](=O)[O-])N3N(OCCOCCOCCOCCO3)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC(=N5)C

Isomeric SMILES

CC1=NC2=C(C=CC(=C2C=C1)[N+](=O)[O-])N3N(OCCOCCOCCOCCO3)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC(=N5)C

InChI

InChI=1S/C28H30N6O9/c1-19-3-5-21-23(33(35)36)7-9-25(27(21)29-19)31-32(43-18-16-41-14-12-39-11-13-40-15-17-42-31)26-10-8-24(34(37)38)22-6-4-20(2)30-28(22)26/h3-10H,11-18H2,1-2H3