methyl 2-[7,10-bis(2-methoxy-2-oxidanylidene-ethyl)-13-[(4-nitrophenyl)methyl]-14-oxidanylidene-1,4,7,10,13-pentazabicyclo[10.3.1]hexadecan-4-yl]ethanoate

Systemtic Name: methyl 2-[7,10-bis(2-methoxy-2-oxidanylidene-ethyl)-13-[(4-nitrophenyl)methyl]-14-oxidanylidene-1,4,7,10,13-pentazabicyclo[10.3.1]hexadecan-4-yl]ethanoate Openeye Name: methyl 2-[7,10-bis(2-methoxy-2-oxo-ethyl)-13-[(4-nitrophenyl)methyl]-14-oxo-1,4,7,10,13-pentazabicyclo[10.3.1]hexadecan-4-yl]acetate CAS Name: 2-[7,10-bis(2-methoxy-2-oxoethyl)-13-[(4-nitrophenyl)methyl]-14-oxo-1,4,7,10,13-pentazabicyclo[10.3.1]hexadecan-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7,10-bis(2-methoxy-2-oxoethyl)-13-[(4-nitrophenyl)methyl]-14-oxo-1,4,7,10,13-pentazabicyclo[10.3.1]hexadecan-4-yl]acetate Traditional Name: 2-[14-keto-7,10-bis(2-keto-2-methoxy-ethyl)-13-(4-nitrobenzyl)-1,4,7,10,13-pentazabicyclo[10.3.1]hexadecan-4-yl]acetic acid methyl ester Formula: C27H40N6O9 MolecularWeight: 592.6413

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCN(CCN(CC2CN(CC1)CC(=O)N2CC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)OC)CC(=O)OC

Isomeric SMILES

COC(=O)CN1CCN(CCN(CC2CN(CC1)CC(=O)N2CC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C27H40N6O9/c1-40-25(35)18-28-8-9-29(19-26(36)41-2)11-13-31(20-27(37)42-3)16-23-15-30(12-10-28)17-24(34)32(23)14-21-4-6-22(7-5-21)33(38)39/h4-7,23H,8-20H2,1-3H3