(E)-3-(5-nitro-2-pentoxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(5-nitro-2-pentoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(5-nitro-2-pentoxy-phenyl)prop-2-enoic acid CAS Name: (E)-3-(5-nitro-2-pentoxyphenyl)-2-propenoic acid IUPAC Name: (E)-3-(5-nitro-2-pentoxyphenyl)prop-2-enoic acid Traditional Name: (E)-3-(2-amoxy-5-nitro-phenyl)acrylic acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)[N+](=O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C14H17NO5/c1-2-3-4-9-20-13-7-6-12(15(18)19)10-11(13)5-8-14(16)17/h5-8,10H,2-4,9H2,1H3,(H,16,17)/b8-5+