[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] (E)-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-3-(4-propan-2-ylphenyl)-2-propenoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-3-p-cumenylacrylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H19BrN2O5 MolecularWeight: 447.27926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C20H19BrN2O5/c1-13(2)15-6-3-14(4-7-15)5-10-20(25)28-12-19(24)22-18-9-8-16(23(26)27)11-17(18)21/h3-11,13H,12H2,1-2H3,(H,22,24)/b10-5+