(4-hexan-3-yl-2-methyl-6-nitro-phenyl) (E)-but-2-enoate

Systemtic Name: (4-hexan-3-yl-2-methyl-6-nitro-phenyl) (E)-but-2-enoate Openeye Name: [4-(1-ethylbutyl)-2-methyl-6-nitro-phenyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid (4-hexan-3-yl-2-methyl-6-nitrophenyl) ester IUPAC Name: (4-hexan-3-yl-2-methyl-6-nitrophenyl) (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [4-(1-ethylbutyl)-2-methyl-6-nitro-phenyl] ester Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4/c1-5-8-13(7-3)14-10-12(4)17(15(11-14)18(20)21)22-16(19)9-6-2/h6,9-11,13H,5,7-8H2,1-4H3/b9-6+