[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)OC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C21H20N2O7/c1-14(21(25)22-10-9-15-5-3-2-4-6-15)30-20(24)8-7-16-11-18-19(29-13-28-18)12-17(16)23(26)27/h2-8,11-12,14H,9-10,13H2,1H3,(H,22,25)/b8-7+/t14-/m1/s1