(2-methyl-4-nitro-6-octan-2-yl-phenyl) (E)-but-2-enoate

Systemtic Name: (2-methyl-4-nitro-6-octan-2-yl-phenyl) (E)-but-2-enoate Openeye Name: [2-methyl-6-(1-methylheptyl)-4-nitro-phenyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid (2-methyl-4-nitro-6-octan-2-ylphenyl) ester IUPAC Name: (2-methyl-4-nitro-6-octan-2-ylphenyl) (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-methyl-6-(1-methylheptyl)-4-nitro-phenyl] ester Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])C)OC(=O)C=CC

Isomeric SMILES

CCCCCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])C)OC(=O)/C=C/C

InChI

InChI=1S/C19H27NO4/c1-5-7-8-9-11-14(3)17-13-16(20(22)23)12-15(4)19(17)24-18(21)10-6-2/h6,10,12-14H,5,7-9,11H2,1-4H3/b10-6+