4-[2,3-bis(chloranyl)-4-[(E)-2-nitrobut-1-enyl]phenoxy]butanoate

Systemtic Name: 4-[2,3-bis(chloranyl)-4-[(E)-2-nitrobut-1-enyl]phenoxy]butanoate Openeye Name: 4-[2,3-dichloro-4-[(E)-2-nitrobut-1-enyl]phenoxy]butanoate CAS Name: 4-[2,3-dichloro-4-[(E)-2-nitrobut-1-enyl]phenoxy]butanoate IUPAC Name: 4-[2,3-dichloro-4-[(E)-2-nitrobut-1-enyl]phenoxy]butanoate Traditional Name: 4-[2,3-dichloro-4-[(E)-2-nitrobut-1-enyl]phenoxy]butyrate Formula: C14H14Cl2NO5- MolecularWeight: 347.17066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=C(C(=C(C=C1)OCCCC(=O)[O-])Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC/C(=C\C1=C(C(=C(C=C1)OCCCC(=O)[O-])Cl)Cl)/[N+](=O)[O-]

InChI

InChI=1S/C14H15Cl2NO5/c1-2-10(17(20)21)8-9-5-6-11(14(16)13(9)15)22-7-3-4-12(18)19/h5-6,8H,2-4,7H2,1H3,(H,18,19)/p-1/b10-8+