[cyano-(3-phenoxyphenyl)methyl] 5,5-bis(chloranyl)-3-nitro-2-propan-2-yl-pent-4-enoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 5,5-bis(chloranyl)-3-nitro-2-propan-2-yl-pent-4-enoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 5,5-dichloro-2-isopropyl-3-nitro-pent-4-enoate CAS Name: 5,5-dichloro-3-nitro-2-propan-2-yl-4-pentenoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 5,5-dichloro-3-nitro-2-propan-2-ylpent-4-enoate Traditional Name: 5,5-dichloro-2-isopropyl-3-nitro-pent-4-enoic acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C22H20Cl2N2O5 MolecularWeight: 463.3106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C=C(Cl)Cl)[N+](=O)[O-])C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(C=C(Cl)Cl)[N+](=O)[O-])C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C22H20Cl2N2O5/c1-14(2)21(18(26(28)29)12-20(23)24)22(27)31-19(13-25)15-7-6-10-17(11-15)30-16-8-4-3-5-9-16/h3-12,14,18-19,21H,1-2H3