[(E)-1-(2-chlorophenyl)-4-(dimethylaminomethyl)non-1-en-3-yl] 4-nitrobenzoate

Systemtic Name: [(E)-1-(2-chlorophenyl)-4-(dimethylaminomethyl)non-1-en-3-yl] 4-nitrobenzoate Openeye Name: [1-[(E)-2-(2-chlorophenyl)vinyl]-2-(dimethylaminomethyl)heptyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-1-(2-chlorophenyl)-4-(dimethylaminomethyl)non-1-en-3-yl] ester IUPAC Name: [(E)-1-(2-chlorophenyl)-4-(dimethylaminomethyl)non-1-en-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-3-(2-chlorophenyl)-1-[1-(dimethylaminomethyl)hexyl]allyl] ester Formula: C25H31ClN2O4 MolecularWeight: 458.97764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CN(C)C)C(C=CC1=CC=CC=C1Cl)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(CN(C)C)C(/C=C/C1=CC=CC=C1Cl)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C25H31ClN2O4/c1-4-5-6-10-21(18-27(2)3)24(17-14-19-9-7-8-11-23(19)26)32-25(29)20-12-15-22(16-13-20)28(30)31/h7-9,11-17,21,24H,4-6,10,18H2,1-3H3/b17-14+