[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H18BrN3O6 MolecularWeight: 536.33092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C25H18BrN3O6/c1-34-20-10-7-16(8-11-20)13-18(15-27)25(31)35-23(17-5-3-2-4-6-17)24(30)28-22-12-9-19(29(32)33)14-21(22)26/h2-14,23H,1H3,(H,28,30)/b18-13+