tert-butyl 4-[(Z)-1-nitropent-1-en-2-yl]benzoate

Systemtic Name: tert-butyl 4-[(Z)-1-nitropent-1-en-2-yl]benzoate Openeye Name: tert-butyl 4-[(1Z)-1-(nitromethylene)butyl]benzoate CAS Name: 4-[(Z)-1-nitropent-1-en-2-yl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(Z)-1-nitropent-1-en-2-yl]benzoate Traditional Name: 4-[(Z)-2-nitro-1-propyl-vinyl]benzoic acid tert-butyl ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-5-6-14(11-17(19)20)12-7-9-13(10-8-12)15(18)21-16(2,3)4/h7-11H,5-6H2,1-4H3/b14-11-