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

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] (E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-propan-2-ylphenyl)-2-propenoic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-cumenyl-acrylic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c1-14(2)17-10-8-16(9-11-17)12-18(13-23)22(27)30-15(3)21(26)24-19-6-4-5-7-20(19)25(28)29/h4-12,14-15H,1-3H3,(H,24,26)/b18-12+/t15-/m1/s1