tert-butyl (2E)-2-[7-nitro-5-(3-phenylpropyl)-2,3-dihydrochromen-4-ylidene]ethanoate

Systemtic Name: tert-butyl (2E)-2-[7-nitro-5-(3-phenylpropyl)-2,3-dihydrochromen-4-ylidene]ethanoate Openeye Name: tert-butyl (2E)-2-[7-nitro-5-(3-phenylpropyl)chroman-4-ylidene]acetate CAS Name: (2E)-2-[7-nitro-5-(3-phenylpropyl)-3,4-dihydro-2H-1-benzopyran-4-ylidene]acetic acid tert-butyl ester IUPAC Name: tert-butyl (2E)-2-[7-nitro-5-(3-phenylpropyl)-2,3-dihydrochromen-4-ylidene]acetate Traditional Name: (2E)-2-[7-nitro-5-(3-phenylpropyl)chroman-4-ylidene]acetic acid tert-butyl ester Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=C1CCOC2=C1C(=CC(=C2)[N+](=O)[O-])CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/1\CCOC2=C1C(=CC(=C2)[N+](=O)[O-])CCCC3=CC=CC=C3

InChI

InChI=1S/C24H27NO5/c1-24(2,3)30-22(26)15-19-12-13-29-21-16-20(25(27)28)14-18(23(19)21)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,14-16H,7,10-13H2,1-3H3/b19-15+