[(3R,6E,9S)-10-methoxy-9-[(2-methylpropan-2-yl)oxycarbonylamino]-10-oxidanylidene-deca-1,6-dien-3-yl] 4-nitrobenzoate

Systemtic Name: [(3R,6E,9S)-10-methoxy-9-[(2-methylpropan-2-yl)oxycarbonylamino]-10-oxidanylidene-deca-1,6-dien-3-yl] 4-nitrobenzoate Openeye Name: [(E,1R,7S)-7-(tert-butoxycarbonylamino)-8-methoxy-8-oxo-1-vinyl-oct-4-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3R,6E,9S)-10-methoxy-9-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-10-oxodeca-1,6-dien-3-yl] ester IUPAC Name: [(3R,6E,9S)-10-methoxy-9-[(2-methylpropan-2-yl)oxycarbonylamino]-10-oxodeca-1,6-dien-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E,1R,7S)-7-(tert-butoxycarbonylamino)-8-keto-8-methoxy-1-vinyl-oct-4-enyl] ester Formula: C23H30N2O8 MolecularWeight: 462.4929

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC=CCCC(C=C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C/C=C/CC[C@H](C=C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C23H30N2O8/c1-6-18(32-20(26)16-12-14-17(15-13-16)25(29)30)10-8-7-9-11-19(21(27)31-5)24-22(28)33-23(2,3)4/h6-7,9,12-15,18-19H,1,8,10-11H2,2-5H3,(H,24,28)/b9-7+/t18-,19-/m0/s1