[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] (E)-3-(4-allyloxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-prop-2-enoxyphenyl)-2-propenoic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-allyloxyphenyl)acrylic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C=CC2=CC=C(C=C2)OCC=C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)/C=C/C2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C21H20N2O6/c1-3-14-28-17-11-8-16(9-12-17)10-13-20(24)29-15(2)21(25)22-18-6-4-5-7-19(18)23(26)27/h3-13,15H,1,14H2,2H3,(H,22,25)/b13-10+/t15-/m1/s1