(4-nitrophenyl)methyl (4R,5S,6R)-3-diphenoxyphosphoryl-6-ethyl-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (4R,5S,6R)-3-diphenoxyphosphoryl-6-ethyl-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (4R,5S,6R)-3-diphenoxyphosphoryl-6-ethyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (4R,5S,6R)-3-diphenoxyphosphoryl-6-ethyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (4R,5S,6R)-3-diphenoxyphosphoryl-6-ethyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (4R,5S,6R)-3-diphenoxyphosphoryl-6-ethyl-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C29H27N2O8P MolecularWeight: 562.507041

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2C(C(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5)C

Isomeric SMILES

CC[C@@H]1[C@H]2[C@H](C(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5)C

InChI

InChI=1S/C29H27N2O8P/c1-3-24-25-19(2)27(40(36,38-22-10-6-4-7-11-22)39-23-12-8-5-9-13-23)26(30(25)28(24)32)29(33)37-18-20-14-16-21(17-15-20)31(34)35/h4-17,19,24-25H,3,18H2,1-2H3/t19-,24-,25-/m1/s1