[(2R)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [(2R)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-phenylprop-2-enoate Openeye Name: [(1R)-2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [(1R)-2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H15ClN2O5 MolecularWeight: 374.7751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O5/c1-12(26-17(22)10-7-13-5-3-2-4-6-13)18(23)20-16-9-8-14(21(24)25)11-15(16)19/h2-12H,1H3,(H,20,23)/b10-7+/t12-/m1/s1