tert-butyl 4-[(E)-5-nitropent-4-en-2-yl]benzoate

Systemtic Name: tert-butyl 4-[(E)-5-nitropent-4-en-2-yl]benzoate Openeye Name: tert-butyl 4-[(E)-1-methyl-4-nitro-but-3-enyl]benzoate CAS Name: 4-[(E)-5-nitropent-4-en-2-yl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-5-nitropent-4-en-2-yl]benzoate Traditional Name: 4-[(E)-1-methyl-4-nitro-but-3-enyl]benzoic acid tert-butyl ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-12(6-5-11-17(19)20)13-7-9-14(10-8-13)15(18)21-16(2,3)4/h5,7-12H,6H2,1-4H3/b11-5+